N-(4-aminocyclohexyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide

C15H20Cl2N2OS — CID 119477035

IUPACN-(4-aminocyclohexyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide
SMILESCC(Sc1cc(Cl)ccc1Cl)C(=O)NC1CCC(N)CC1
InChIInChI=1S/C15H20Cl2N2OS/c1-9(21-14-8-10(16)2-7-13(14)17)15(20)19-12-5-3-11(18)4-6-12/h2,7-9,11-12H,3-6,18H2,1H3,(H,19,20)
InChIKeyQQFWTPVXSUAUSN-UHFFFAOYSA-N
MW347.31 g/mol
LogP3.86
Rot. Bonds4

About N-(4-aminocyclohexyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide

N-(4-aminocyclohexyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide (PubChem CID 119477035) has the molecular formula C15H20Cl2N2OS and a molecular weight of 347.31 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide
PubChem CID119477035
Molecular FormulaC15H20Cl2N2OS
Molecular Weight347.31 g/mol
Exact Mass346.07
IUPAC NameN-(4-aminocyclohexyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide
SMILESCC(Sc1cc(Cl)ccc1Cl)C(=O)NC1CCC(N)CC1
InChIInChI=1S/C15H20Cl2N2OS/c1-9(21-14-8-10(16)2-7-13(14)17)15(20)19-12-5-3-11(18)4-6-12/h2,7-9,11-12H,3-6,18H2,1H3,(H,19,20)
InChIKeyQQFWTPVXSUAUSN-UHFFFAOYSA-N
XLogP3.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 7870552
N-(4-aminocyclohexyl)-2-(2-chlorophenyl)sulfanylpropanamide;hydrochloride
CID 119478329
2-(2,5-dichlorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide
CID 119452175
2-(2,5-dichlorophenyl)sulfanyl-N-piperidin-3-ylpropanamide
CID 119427017
2-(5-amino-2-chlorophenyl)sulfanyl-N-cyclopentylpropanamide
CID 79133802
(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 94472080
(2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 883001
2-cyclopropyl-2-[2-(2,5-dichlorophenyl)sulfanylpropanoylamino]acetic acid
CID 119213243
(2S)-N-tert-butyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 8736537
(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide
CID 8736586
N-(3-aminobutyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 119497529
2-(2,5-dichlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119512562

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide (CID 119477035) is N-(4-aminocyclohexyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide is CC(Sc1cc(Cl)ccc1Cl)C(=O)NC1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide?
The InChIKey is QQFWTPVXSUAUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2OS/c1-9(21-14-8-10(16)2-7-13(14)17)15(20)19-12-5-3-11(18)4-6-12/h2,7-9,11-12H,3-6,18H2,1H3,(H,19,20).
What are the key properties of N-(4-aminocyclohexyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide?
N-(4-aminocyclohexyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide has a molecular weight of 347.31 g/mol, XLogP of 3.86, 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-(2,5-dichlorophenyl)sulfanylpropanamide is sourced from PubChem (CID 119477035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).