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

C15H26N4O2S — CID 134069048

IUPACN-[(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]-N-ethylethanamine
SMILESCCN(CC)CC1CN(S(=O)(=O)C2CC2)Cc2nccn2C1
InChIInChI=1S/C15H26N4O2S/c1-3-17(4-2)9-13-10-18-8-7-16-15(18)12-19(11-13)22(20,21)14-5-6-14/h7-8,13-14H,3-6,9-12H2,1-2H3
InChIKeyOZXUTBUICAQGPX-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.15
Rot. Bonds6

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

N-[(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]-N-ethylethanamine (PubChem CID 134069048) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is N-[(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]-N-ethylethanamine
PubChem CID134069048
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC NameN-[(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]-N-ethylethanamine
SMILESCCN(CC)CC1CN(S(=O)(=O)C2CC2)Cc2nccn2C1
InChIInChI=1S/C15H26N4O2S/c1-3-17(4-2)9-13-10-18-8-7-16-15(18)12-19(11-13)22(20,21)14-5-6-14/h7-8,13-14H,3-6,9-12H2,1-2H3
InChIKeyOZXUTBUICAQGPX-UHFFFAOYSA-N
XLogP1.15
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]-N-ethylethanamine?
The IUPAC name of N-[(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]-N-ethylethanamine (CID 134069048) is N-[(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]-N-ethylethanamine.
What is the SMILES notation for N-[(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]-N-ethylethanamine?
The canonical SMILES for N-[(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]-N-ethylethanamine is CCN(CC)CC1CN(S(=O)(=O)C2CC2)Cc2nccn2C1.
What is the InChIKey of N-[(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]-N-ethylethanamine?
The InChIKey is OZXUTBUICAQGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-3-17(4-2)9-13-10-18-8-7-16-15(18)12-19(11-13)22(20,21)14-5-6-14/h7-8,13-14H,3-6,9-12H2,1-2H3.
What are the key properties of N-[(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]-N-ethylethanamine?
N-[(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]-N-ethylethanamine has a molecular weight of 326.47 g/mol, XLogP of 1.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]-N-ethylethanamine is sourced from PubChem (CID 134069048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).