N-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide

C14H21ClN2OS — CID 154577734

IUPACN-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide
SMILESNCC1CCC(NC(=O)CCc2ccc(Cl)s2)CC1
InChIInChI=1S/C14H21ClN2OS/c15-13-7-5-12(19-13)6-8-14(18)17-11-3-1-10(9-16)2-4-11/h5,7,10-11H,1-4,6,8-9,16H2,(H,17,18)
InChIKeyOCKDCFXHHNYYFM-UHFFFAOYSA-N
MW300.85 g/mol
LogP2.97
Rot. Bonds5

About N-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide

N-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide (PubChem CID 154577734) has the molecular formula C14H21ClN2OS and a molecular weight of 300.85 g/mol. Its IUPAC name is N-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide
PubChem CID154577734
Molecular FormulaC14H21ClN2OS
Molecular Weight300.85 g/mol
Exact Mass300.11
IUPAC NameN-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide
SMILESNCC1CCC(NC(=O)CCc2ccc(Cl)s2)CC1
InChIInChI=1S/C14H21ClN2OS/c15-13-7-5-12(19-13)6-8-14(18)17-11-3-1-10(9-16)2-4-11/h5,7,10-11H,1-4,6,8-9,16H2,(H,17,18)
InChIKeyOCKDCFXHHNYYFM-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 1245406
N-[2-(thiophen-2-yl)ethyl]cyclohexanecarboxamide
CID 1508406
4-(2-amino-2-oxoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide
CID 51084665
3-(4-chlorothiophen-2-yl)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide
CID 56792387
N-(2-amino-2-oxo-1-phenylethyl)-3-(5-chlorothiophen-2-yl)propanamide
CID 56814058
3-(5-chlorothiophen-2-yl)-N-((1r,4r)-4-(aminomethyl)cyclohexyl)propanamide hydrochloride
CID 154577733
N-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide
CID 9167442
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylpropanamide
CID 47043521
3-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide
CID 49072592
N-[2-(5-chlorothiophen-2-yl)ethyl]cyclobutanecarboxamide
CID 51082905
2,2-dichloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-3-methylcyclopropane-1-carboxamide
CID 76326838
3-(5-chlorothiophen-2-yl)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 120108706

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide?
The IUPAC name of N-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide (CID 154577734) is N-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide.
What is the SMILES notation for N-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide?
The canonical SMILES for N-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide is NCC1CCC(NC(=O)CCc2ccc(Cl)s2)CC1.
What is the InChIKey of N-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide?
The InChIKey is OCKDCFXHHNYYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2OS/c15-13-7-5-12(19-13)6-8-14(18)17-11-3-1-10(9-16)2-4-11/h5,7,10-11H,1-4,6,8-9,16H2,(H,17,18).
What are the key properties of N-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide?
N-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide has a molecular weight of 300.85 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide is sourced from PubChem (CID 154577734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).