N-[2-(aminomethyl)cyclopentyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride

C13H23ClN4O2S — CID 120875288

IUPACN-[2-(aminomethyl)cyclopentyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride
SMILESCl.NCC1CCCC1NS(=O)(=O)c1cn2c(n1)CCCC2
InChIInChI=1S/C13H22N4O2S.ClH/c14-8-10-4-3-5-11(10)16-20(18,19)13-9-17-7-2-1-6-12(17)15-13;/h9-11,16H,1-8,14H2;1H
InChIKeyIMEFCQHIQNDSJD-UHFFFAOYSA-N
MW334.87 g/mol
LogP1.05
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride (PubChem CID 120875288) has the molecular formula C13H23ClN4O2S and a molecular weight of 334.87 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride
PubChem CID120875288
Molecular FormulaC13H23ClN4O2S
Molecular Weight334.87 g/mol
Exact Mass334.12
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride
SMILESCl.NCC1CCCC1NS(=O)(=O)c1cn2c(n1)CCCC2
InChIInChI=1S/C13H22N4O2S.ClH/c14-8-10-4-3-5-11(10)16-20(18,19)13-9-17-7-2-1-6-12(17)15-13;/h9-11,16H,1-8,14H2;1H
InChIKeyIMEFCQHIQNDSJD-UHFFFAOYSA-N
XLogP1.05
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 165943498
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CID 100628334
CID 100628334
CID 62373439
CID 62373439
CID 120876983
CID 120876983
CID 120876984
CID 120876984
CID 121704325
CID 121704325
CID 121704326
CID 121704326
CID 137966215
CID 137966215
CID 137966480
CID 137966480
CID 137999013
CID 137999013

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride (CID 120875288) is N-[2-(aminomethyl)cyclopentyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride is Cl.NCC1CCCC1NS(=O)(=O)c1cn2c(n1)CCCC2.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride?
The InChIKey is IMEFCQHIQNDSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S.ClH/c14-8-10-4-3-5-11(10)16-20(18,19)13-9-17-7-2-1-6-12(17)15-13;/h9-11,16H,1-8,14H2;1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride has a molecular weight of 334.87 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride is sourced from PubChem (CID 120875288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).