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

C11H20N4O2S — CID 97390181

IUPACN,N-dimethyl-1-(7-methylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methanamine
SMILESCN(C)Cc1cnc2n1CCN(S(C)(=O)=O)CC2
InChIInChI=1S/C11H20N4O2S/c1-13(2)9-10-8-12-11-4-5-14(18(3,16)17)6-7-15(10)11/h8H,4-7,9H2,1-3H3
InChIKeyMCJOQPGZHMLVOG-UHFFFAOYSA-N
MW272.37 g/mol
LogP-0.24
Rot. Bonds3

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

N,N-dimethyl-1-(7-methylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methanamine (PubChem CID 97390181) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N,N-dimethyl-1-(7-methylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(7-methylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methanamine
PubChem CID97390181
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN,N-dimethyl-1-(7-methylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methanamine
SMILESCN(C)Cc1cnc2n1CCN(S(C)(=O)=O)CC2
InChIInChI=1S/C11H20N4O2S/c1-13(2)9-10-8-12-11-4-5-14(18(3,16)17)6-7-15(10)11/h8H,4-7,9H2,1-3H3
InChIKeyMCJOQPGZHMLVOG-UHFFFAOYSA-N
XLogP-0.24
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-1-(7-methylsulfonyl-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-methylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(7-methylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methanamine (CID 97390181) is N,N-dimethyl-1-(7-methylsulfonyl-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-methylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(7-methylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methanamine is CN(C)Cc1cnc2n1CCN(S(C)(=O)=O)CC2.
What is the InChIKey of N,N-dimethyl-1-(7-methylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methanamine?
The InChIKey is MCJOQPGZHMLVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-13(2)9-10-8-12-11-4-5-14(18(3,16)17)6-7-15(10)11/h8H,4-7,9H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(7-methylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methanamine?
N,N-dimethyl-1-(7-methylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methanamine has a molecular weight of 272.37 g/mol, XLogP of -0.24, 3 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-methylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methanamine is sourced from PubChem (CID 97390181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).