N-(4-aminocyclohexyl)-2-(2-chlorophenyl)sulfanylpropanamide;hydrochloride

C15H22Cl2N2OS — CID 119478329

IUPACN-(4-aminocyclohexyl)-2-(2-chlorophenyl)sulfanylpropanamide;hydrochloride
SMILESCC(Sc1ccccc1Cl)C(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C15H21ClN2OS.ClH/c1-10(20-14-5-3-2-4-13(14)16)15(19)18-12-8-6-11(17)7-9-12;/h2-5,10-12H,6-9,17H2,1H3,(H,18,19);1H
InChIKeyNGUSVBXFJXZQHF-UHFFFAOYSA-N
MW349.33 g/mol
LogP3.63
Rot. Bonds4

About N-(4-aminocyclohexyl)-2-(2-chlorophenyl)sulfanylpropanamide;hydrochloride

N-(4-aminocyclohexyl)-2-(2-chlorophenyl)sulfanylpropanamide;hydrochloride (PubChem CID 119478329) has the molecular formula C15H22Cl2N2OS and a molecular weight of 349.33 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(2-chlorophenyl)sulfanylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(2-chlorophenyl)sulfanylpropanamide;hydrochloride
PubChem CID119478329
Molecular FormulaC15H22Cl2N2OS
Molecular Weight349.33 g/mol
Exact Mass348.08
IUPAC NameN-(4-aminocyclohexyl)-2-(2-chlorophenyl)sulfanylpropanamide;hydrochloride
SMILESCC(Sc1ccccc1Cl)C(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C15H21ClN2OS.ClH/c1-10(20-14-5-3-2-4-13(14)16)15(19)18-12-8-6-11(17)7-9-12;/h2-5,10-12H,6-9,17H2,1H3,(H,18,19);1H
InChIKeyNGUSVBXFJXZQHF-UHFFFAOYSA-N
XLogP3.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 119477035
2-(2-chlorophenyl)sulfanylpropanehydrazide
CID 61059907
1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylpropan-1-one
CID 119376277
(2R)-N-cyclopropyl-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214634
(2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylpropanamide
CID 95579036
2-(5-amino-2-chlorophenyl)sulfanyl-N-cyclopentylpropanamide
CID 79133802
2-[2-(2-chlorophenyl)sulfanylpropanoylamino]-2-cyclopropylacetic acid
CID 119213148
N-(4-aminocyclohexyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119474521
2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropylpropanamide
CID 78457593
(2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 883001
N-(4-aminocyclohexyl)-3-methyl-2-phenylbutanamide;hydrochloride
CID 119474856
N-(3-aminobutyl)-2-(2-chlorophenyl)sulfanylpropanamide
CID 119498900

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(2-chlorophenyl)sulfanylpropanamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-(2-chlorophenyl)sulfanylpropanamide;hydrochloride (CID 119478329) is N-(4-aminocyclohexyl)-2-(2-chlorophenyl)sulfanylpropanamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(2-chlorophenyl)sulfanylpropanamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(2-chlorophenyl)sulfanylpropanamide;hydrochloride is CC(Sc1ccccc1Cl)C(=O)NC1CCC(N)CC1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(2-chlorophenyl)sulfanylpropanamide;hydrochloride?
The InChIKey is NGUSVBXFJXZQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2OS.ClH/c1-10(20-14-5-3-2-4-13(14)16)15(19)18-12-8-6-11(17)7-9-12;/h2-5,10-12H,6-9,17H2,1H3,(H,18,19);1H.
What are the key properties of N-(4-aminocyclohexyl)-2-(2-chlorophenyl)sulfanylpropanamide;hydrochloride?
N-(4-aminocyclohexyl)-2-(2-chlorophenyl)sulfanylpropanamide;hydrochloride has a molecular weight of 349.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(2-chlorophenyl)sulfanylpropanamide;hydrochloride is sourced from PubChem (CID 119478329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).