1-(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)-N,N-dimethylmethanamine

C13H22N4O2S — CID 131642135

IUPAC1-(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1CN(S(=O)(=O)C2CC2)Cc2nccn2C1
InChIInChI=1S/C13H22N4O2S/c1-15(2)7-11-8-16-6-5-14-13(16)10-17(9-11)20(18,19)12-3-4-12/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyONJFZGOBOILWPW-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.37
Rot. Bonds4

About 1-(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)-N,N-dimethylmethanamine

1-(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)-N,N-dimethylmethanamine (PubChem CID 131642135) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)-N,N-dimethylmethanamine
PubChem CID131642135
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name1-(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1CN(S(=O)(=O)C2CC2)Cc2nccn2C1
InChIInChI=1S/C13H22N4O2S/c1-15(2)7-11-8-16-6-5-14-13(16)10-17(9-11)20(18,19)12-3-4-12/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyONJFZGOBOILWPW-UHFFFAOYSA-N
XLogP0.37
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)-N,N-dimethylmethanamine (CID 131642135) is 1-(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)-N,N-dimethylmethanamine is CN(C)CC1CN(S(=O)(=O)C2CC2)Cc2nccn2C1.
What is the InChIKey of 1-(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)-N,N-dimethylmethanamine?
The InChIKey is ONJFZGOBOILWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-15(2)7-11-8-16-6-5-14-13(16)10-17(9-11)20(18,19)12-3-4-12/h5-6,11-12H,3-4,7-10H2,1-2H3.
What are the key properties of 1-(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)-N,N-dimethylmethanamine?
1-(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)-N,N-dimethylmethanamine has a molecular weight of 298.41 g/mol, XLogP of 0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 131642135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).