N-[2-(aminomethyl)cyclohexyl]-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride

C14H24ClN3O3S2 — CID 119610735

IUPACN-[2-(aminomethyl)cyclohexyl]-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)NC1CCCCC1CN.Cl
InChIInChI=1S/C14H23N3O3S2.ClH/c1-10(17-22(19,20)13-7-4-8-21-13)14(18)16-12-6-3-2-5-11(12)9-15;/h4,7-8,10-12,17H,2-3,5-6,9,15H2,1H3,(H,16,18);1H
InChIKeyCXZUPJXUJYADJJ-UHFFFAOYSA-N
MW381.95 g/mol
LogP1.47
Rot. Bonds6

About N-[2-(aminomethyl)cyclohexyl]-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride (PubChem CID 119610735) has the molecular formula C14H24ClN3O3S2 and a molecular weight of 381.95 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride
PubChem CID119610735
Molecular FormulaC14H24ClN3O3S2
Molecular Weight381.95 g/mol
Exact Mass381.09
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)NC1CCCCC1CN.Cl
InChIInChI=1S/C14H23N3O3S2.ClH/c1-10(17-22(19,20)13-7-4-8-21-13)14(18)16-12-6-3-2-5-11(12)9-15;/h4,7-8,10-12,17H,2-3,5-6,9,15H2,1H3,(H,16,18);1H
InChIKeyCXZUPJXUJYADJJ-UHFFFAOYSA-N
XLogP1.47
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.95
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119611057
4-[2-(thiophen-2-ylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 119230364
N-piperidin-4-yl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 119387925
N-[2-(aminomethyl)cyclopentyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119603184
(2S)-N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 124772972
N-cyclooctyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 20965302
N-propyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 46820888
N-[2-(aminomethyl)cyclohexyl]-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride
CID 119609161
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 120944970
2-methyl-2-[2-(thiophen-2-ylsulfonylamino)propanoylamino]butanoic acid
CID 119199790
N-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride
CID 119609146
N-[2-(aminomethyl)cyclopentyl]-2-(phenylcarbamoylamino)propanamide;hydrochloride
CID 119602707

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride (CID 119610735) is N-[2-(aminomethyl)cyclohexyl]-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride is CC(NS(=O)(=O)c1cccs1)C(=O)NC1CCCCC1CN.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride?
The InChIKey is CXZUPJXUJYADJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S2.ClH/c1-10(17-22(19,20)13-7-4-8-21-13)14(18)16-12-6-3-2-5-11(12)9-15;/h4,7-8,10-12,17H,2-3,5-6,9,15H2,1H3,(H,16,18);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride has a molecular weight of 381.95 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride is sourced from PubChem (CID 119610735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).