N,N-dimethyl-1-(7-propylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methanamine

C13H24N4O2S — CID 97390182

IUPACN,N-dimethyl-1-(7-propylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methanamine
SMILESCCCS(=O)(=O)N1CCc2ncc(CN(C)C)n2CC1
InChIInChI=1S/C13H24N4O2S/c1-4-9-20(18,19)16-6-5-13-14-10-12(11-15(2)3)17(13)8-7-16/h10H,4-9,11H2,1-3H3
InChIKeyBJJLEQGBEVZGIH-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.54
Rot. Bonds5

About N,N-dimethyl-1-(7-propylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methanamine

N,N-dimethyl-1-(7-propylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methanamine (PubChem CID 97390182) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N,N-dimethyl-1-(7-propylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(7-propylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methanamine
PubChem CID97390182
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN,N-dimethyl-1-(7-propylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methanamine
SMILESCCCS(=O)(=O)N1CCc2ncc(CN(C)C)n2CC1
InChIInChI=1S/C13H24N4O2S/c1-4-9-20(18,19)16-6-5-13-14-10-12(11-15(2)3)17(13)8-7-16/h10H,4-9,11H2,1-3H3
InChIKeyBJJLEQGBEVZGIH-UHFFFAOYSA-N
XLogP0.54
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-1-(7-propylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(7-propylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(7-propylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methanamine (CID 97390182) is N,N-dimethyl-1-(7-propylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(7-propylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(7-propylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methanamine is CCCS(=O)(=O)N1CCc2ncc(CN(C)C)n2CC1.
What is the InChIKey of N,N-dimethyl-1-(7-propylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methanamine?
The InChIKey is BJJLEQGBEVZGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-4-9-20(18,19)16-6-5-13-14-10-12(11-15(2)3)17(13)8-7-16/h10H,4-9,11H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(7-propylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methanamine?
N,N-dimethyl-1-(7-propylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methanamine has a molecular weight of 300.43 g/mol, XLogP of 0.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(7-propylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methanamine is sourced from PubChem (CID 97390182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).