N-[1-[(4-aminocyclohexyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride

C14H22ClN3O2S — CID 119474452

IUPACN-[1-[(4-aminocyclohexyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
SMILESCC(NC(=O)c1cccs1)C(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C14H21N3O2S.ClH/c1-9(16-14(19)12-3-2-8-20-12)13(18)17-11-6-4-10(15)5-7-11;/h2-3,8-11H,4-7,15H2,1H3,(H,16,19)(H,17,18);1H
InChIKeyGHCIIZYVDXPFCI-UHFFFAOYSA-N
MW331.87 g/mol
LogP1.67
Rot. Bonds4

About N-[1-[(4-aminocyclohexyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride

N-[1-[(4-aminocyclohexyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119474452) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is N-[1-[(4-aminocyclohexyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(4-aminocyclohexyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
PubChem CID119474452
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC NameN-[1-[(4-aminocyclohexyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
SMILESCC(NC(=O)c1cccs1)C(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C14H21N3O2S.ClH/c1-9(16-14(19)12-3-2-8-20-12)13(18)17-11-6-4-10(15)5-7-11;/h2-3,8-11H,4-7,15H2,1H3,(H,16,19)(H,17,18);1H
InChIKeyGHCIIZYVDXPFCI-UHFFFAOYSA-N
XLogP1.67
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-aminocyclohexyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-[(4-aminocyclohexyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride (CID 119474452) is N-[1-[(4-aminocyclohexyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[(4-aminocyclohexyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[(4-aminocyclohexyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride is CC(NC(=O)c1cccs1)C(=O)NC1CCC(N)CC1.Cl.
What is the InChIKey of N-[1-[(4-aminocyclohexyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is GHCIIZYVDXPFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S.ClH/c1-9(16-14(19)12-3-2-8-20-12)13(18)17-11-6-4-10(15)5-7-11;/h2-3,8-11H,4-7,15H2,1H3,(H,16,19)(H,17,18);1H.
What are the key properties of N-[1-[(4-aminocyclohexyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride?
N-[1-[(4-aminocyclohexyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 331.87 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-aminocyclohexyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119474452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).