N-[2-(aminomethyl)cyclopentyl]-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide;hydrochloride

C12H19Cl2N3O3S2 — CID 119604012

IUPACN-[2-(aminomethyl)cyclopentyl]-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)CNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H18ClN3O3S2.ClH/c13-10-4-5-12(20-10)21(18,19)15-7-11(17)16-9-3-1-2-8(9)6-14;/h4-5,8-9,15H,1-3,6-7,14H2,(H,16,17);1H
InChIKeyXOJBPUJOPLLPNC-UHFFFAOYSA-N
MW388.34 g/mol
LogP1.35
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide;hydrochloride (PubChem CID 119604012) has the molecular formula C12H19Cl2N3O3S2 and a molecular weight of 388.34 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide;hydrochloride
PubChem CID119604012
Molecular FormulaC12H19Cl2N3O3S2
Molecular Weight388.34 g/mol
Exact Mass387.02
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)CNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H18ClN3O3S2.ClH/c13-10-4-5-12(20-10)21(18,19)15-7-11(17)16-9-3-1-2-8(9)6-14;/h4-5,8-9,15H,1-3,6-7,14H2,(H,16,17);1H
InChIKeyXOJBPUJOPLLPNC-UHFFFAOYSA-N
XLogP1.35
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride
CID 119602098
N-[2-(aminomethyl)cyclohexyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride
CID 119612221
N-[2-(aminomethyl)cyclohexyl]-2-(5-chlorothiophen-2-yl)propanamide
CID 119609976
N-(2-bromocyclopentyl)-5-chlorothiophene-2-sulfonamide
CID 80662650
N-[2-(aminomethyl)cyclopentyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119603615
N-[2-(aminomethyl)cyclohexyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride
CID 119610644
5-chloro-N-[2-(oxan-4-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 137417792
N-[(2-bromocyclohexyl)methyl]-5-chlorothiophene-2-sulfonamide
CID 113271784
N-[2-(aminomethyl)cyclohexyl]-3-(benzenesulfonamido)propanamide;hydrochloride
CID 119611414
(2R,3R)-1-[2-[(5-chlorothiophen-2-yl)sulfonylamino]acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122115765
[(1S,2R)-2-(aminomethyl)cyclopentyl]urea
CID 94903973
2-amino-N-(5-chlorothiophen-2-yl)sulfonylacetamide
CID 68844992

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide;hydrochloride (CID 119604012) is N-[2-(aminomethyl)cyclopentyl]-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide;hydrochloride is Cl.NCC1CCCC1NC(=O)CNS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide;hydrochloride?
The InChIKey is XOJBPUJOPLLPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S2.ClH/c13-10-4-5-12(20-10)21(18,19)15-7-11(17)16-9-3-1-2-8(9)6-14;/h4-5,8-9,15H,1-3,6-7,14H2,(H,16,17);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide;hydrochloride has a molecular weight of 388.34 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide;hydrochloride is sourced from PubChem (CID 119604012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).