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

C14H21ClN2OS — CID 119609976

IUPACN-[2-(aminomethyl)cyclohexyl]-2-(5-chlorothiophen-2-yl)propanamide
SMILESCC(C(=O)NC1CCCCC1CN)c1ccc(Cl)s1
InChIInChI=1S/C14H21ClN2OS/c1-9(12-6-7-13(15)19-12)14(18)17-11-5-3-2-4-10(11)8-16/h6-7,9-11H,2-5,8,16H2,1H3,(H,17,18)
InChIKeyCAWOTUSIBPYLOK-UHFFFAOYSA-N
MW300.86 g/mol
LogP3.14
Rot. Bonds4

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

N-[2-(aminomethyl)cyclohexyl]-2-(5-chlorothiophen-2-yl)propanamide (PubChem CID 119609976) has the molecular formula C14H21ClN2OS and a molecular weight of 300.86 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-(5-chlorothiophen-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-(5-chlorothiophen-2-yl)propanamide
PubChem CID119609976
Molecular FormulaC14H21ClN2OS
Molecular Weight300.86 g/mol
Exact Mass300.11
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-(5-chlorothiophen-2-yl)propanamide
SMILESCC(C(=O)NC1CCCCC1CN)c1ccc(Cl)s1
InChIInChI=1S/C14H21ClN2OS/c1-9(12-6-7-13(15)19-12)14(18)17-11-5-3-2-4-10(11)8-16/h6-7,9-11H,2-5,8,16H2,1H3,(H,17,18)
InChIKeyCAWOTUSIBPYLOK-UHFFFAOYSA-N
XLogP3.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.86
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-(5-chlorothiophen-2-yl)propanamide
CID 119613918
N-[2-(aminomethyl)cyclohexyl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride
CID 119609657
N-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride
CID 119609146
2-(5-chlorothiophen-2-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide
CID 86780824
N-[2-(aminomethyl)cyclopentyl]-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide;hydrochloride
CID 119604012
2-amino-N-[2-(aminomethyl)cyclopentyl]propanamide
CID 130609723
N-[2-(aminomethyl)cyclohexyl]-2-(4-methoxyphenoxy)propanamide
CID 119611877
N-[1-[[2-(aminomethyl)cyclohexyl]amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
CID 119611965
5-[[2-(5-chlorothiophen-2-yl)propanoylamino]methyl]oxolane-2-carboxamide
CID 71851839
N-[2-(aminomethyl)cyclohexyl]-2-(4-aminophenyl)acetamide
CID 122080741
N-[2-(aminomethyl)cyclohexyl]-5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119609678
N-[2-(aminomethyl)cyclopentyl]-2-(3,5-dichlorophenoxy)propanamide
CID 119604613

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(5-chlorothiophen-2-yl)propanamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(5-chlorothiophen-2-yl)propanamide (CID 119609976) is N-[2-(aminomethyl)cyclohexyl]-2-(5-chlorothiophen-2-yl)propanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-(5-chlorothiophen-2-yl)propanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-(5-chlorothiophen-2-yl)propanamide is CC(C(=O)NC1CCCCC1CN)c1ccc(Cl)s1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-(5-chlorothiophen-2-yl)propanamide?
The InChIKey is CAWOTUSIBPYLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2OS/c1-9(12-6-7-13(15)19-12)14(18)17-11-5-3-2-4-10(11)8-16/h6-7,9-11H,2-5,8,16H2,1H3,(H,17,18).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-(5-chlorothiophen-2-yl)propanamide?
N-[2-(aminomethyl)cyclohexyl]-2-(5-chlorothiophen-2-yl)propanamide has a molecular weight of 300.86 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-(5-chlorothiophen-2-yl)propanamide is sourced from PubChem (CID 119609976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).