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

C14H23N5O3S — CID 97467180

IUPACN-[[7-(pyrrolidine-1-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cnc2n1CCN(C(=O)N1CCCC1)CC2
InChIInChI=1S/C14H23N5O3S/c1-23(21,22)16-11-12-10-15-13-4-7-18(8-9-19(12)13)14(20)17-5-2-3-6-17/h10,16H,2-9,11H2,1H3
InChIKeyIVJRKQVSSFIRJJ-UHFFFAOYSA-N
MW341.44 g/mol
LogP0.01
Rot. Bonds3

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

N-[[7-(pyrrolidine-1-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide (PubChem CID 97467180) has the molecular formula C14H23N5O3S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[[7-(pyrrolidine-1-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[7-(pyrrolidine-1-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
PubChem CID97467180
Molecular FormulaC14H23N5O3S
Molecular Weight341.44 g/mol
Exact Mass341.15
IUPAC NameN-[[7-(pyrrolidine-1-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cnc2n1CCN(C(=O)N1CCCC1)CC2
InChIInChI=1S/C14H23N5O3S/c1-23(21,22)16-11-12-10-15-13-4-7-18(8-9-19(12)13)14(20)17-5-2-3-6-17/h10,16H,2-9,11H2,1H3
InChIKeyIVJRKQVSSFIRJJ-UHFFFAOYSA-N
XLogP0.01
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(pyrrolidine-1-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[7-(pyrrolidine-1-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide (CID 97467180) is N-[[7-(pyrrolidine-1-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[7-(pyrrolidine-1-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[7-(pyrrolidine-1-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCc1cnc2n1CCN(C(=O)N1CCCC1)CC2.
What is the InChIKey of N-[[7-(pyrrolidine-1-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide?
The InChIKey is IVJRKQVSSFIRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3S/c1-23(21,22)16-11-12-10-15-13-4-7-18(8-9-19(12)13)14(20)17-5-2-3-6-17/h10,16H,2-9,11H2,1H3.
What are the key properties of N-[[7-(pyrrolidine-1-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide?
N-[[7-(pyrrolidine-1-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide has a molecular weight of 341.44 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(pyrrolidine-1-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 97467180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).