N-[[7-[(3R)-oxolane-3-carbonyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide

C14H22N4O4S — CID 97467176

IUPACN-[[7-[(3R)-oxolane-3-carbonyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cnc2n1CCN(C(=O)[C@@H]1CCOC1)CC2
InChIInChI=1S/C14H22N4O4S/c1-23(20,21)16-9-12-8-15-13-2-4-17(5-6-18(12)13)14(19)11-3-7-22-10-11/h8,11,16H,2-7,9-10H2,1H3/t11-/m1/s1
InChIKeyFQFXXXDPLXBDJK-LLVKDONJSA-N
MW342.42 g/mol
LogP-0.65
Rot. Bonds4

About N-[[7-[(3R)-oxolane-3-carbonyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide

N-[[7-[(3R)-oxolane-3-carbonyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide (PubChem CID 97467176) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[[7-[(3R)-oxolane-3-carbonyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[7-[(3R)-oxolane-3-carbonyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
PubChem CID97467176
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC NameN-[[7-[(3R)-oxolane-3-carbonyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cnc2n1CCN(C(=O)[C@@H]1CCOC1)CC2
InChIInChI=1S/C14H22N4O4S/c1-23(20,21)16-9-12-8-15-13-2-4-17(5-6-18(12)13)14(19)11-3-7-22-10-11/h8,11,16H,2-7,9-10H2,1H3/t11-/m1/s1
InChIKeyFQFXXXDPLXBDJK-LLVKDONJSA-N
XLogP-0.65
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[7-[(3R)-oxolane-3-carbonyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(7-methylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]cyclobutanecarboxamide
CID 97467212
N-[[7-(oxolan-3-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155826694
N-[[7-(2-cyclopropylacetyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
CID 97467175
2-cyclopropyl-N-[(7-methylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]acetamide
CID 97467199
N-[[7-(oxolane-3-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
CID 131648271
2-[(8-Methylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl)methoxy]-1-pyrrolidin-1-ylethanone
CID 131653913
N-[[7-(oxolan-3-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
CID 131654045
N-[[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
CID 97467173
N-[[7-[[(3R)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
CID 97467174
N-[[7-[(3S)-oxolane-3-carbonyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
CID 97467177
N-[[7-(pyrrolidine-1-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
CID 97467180
2-[[(6S)-8-methylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 97487221

Frequently Asked Questions

What is the IUPAC name of N-[[7-[(3R)-oxolane-3-carbonyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[7-[(3R)-oxolane-3-carbonyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide (CID 97467176) is N-[[7-[(3R)-oxolane-3-carbonyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[7-[(3R)-oxolane-3-carbonyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[7-[(3R)-oxolane-3-carbonyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCc1cnc2n1CCN(C(=O)[C@@H]1CCOC1)CC2.
What is the InChIKey of N-[[7-[(3R)-oxolane-3-carbonyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide?
The InChIKey is FQFXXXDPLXBDJK-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-23(20,21)16-9-12-8-15-13-2-4-17(5-6-18(12)13)14(19)11-3-7-22-10-11/h8,11,16H,2-7,9-10H2,1H3/t11-/m1/s1.
What are the key properties of N-[[7-[(3R)-oxolane-3-carbonyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide?
N-[[7-[(3R)-oxolane-3-carbonyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide has a molecular weight of 342.42 g/mol, XLogP of -0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[(3R)-oxolane-3-carbonyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 97467176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).