4-amino-N-(3-chloro-4-methylsulfanylphenyl)pentanamide;hydrochloride

C12H18Cl2N2OS — CID 120562198

IUPAC4-amino-N-(3-chloro-4-methylsulfanylphenyl)pentanamide;hydrochloride
SMILESCSc1ccc(NC(=O)CCC(C)N)cc1Cl.Cl
InChIInChI=1S/C12H17ClN2OS.ClH/c1-8(14)3-6-12(16)15-9-4-5-11(17-2)10(13)7-9;/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,16);1H
InChIKeyAULKLSUJYSPNHZ-UHFFFAOYSA-N
MW309.26 g/mol
LogP3.55
Rot. Bonds5

About 4-amino-N-(3-chloro-4-methylsulfanylphenyl)pentanamide;hydrochloride

4-amino-N-(3-chloro-4-methylsulfanylphenyl)pentanamide;hydrochloride (PubChem CID 120562198) has the molecular formula C12H18Cl2N2OS and a molecular weight of 309.26 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-4-methylsulfanylphenyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(3-chloro-4-methylsulfanylphenyl)pentanamide;hydrochloride
PubChem CID120562198
Molecular FormulaC12H18Cl2N2OS
Molecular Weight309.26 g/mol
Exact Mass308.05
IUPAC Name4-amino-N-(3-chloro-4-methylsulfanylphenyl)pentanamide;hydrochloride
SMILESCSc1ccc(NC(=O)CCC(C)N)cc1Cl.Cl
InChIInChI=1S/C12H17ClN2OS.ClH/c1-8(14)3-6-12(16)15-9-4-5-11(17-2)10(13)7-9;/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,16);1H
InChIKeyAULKLSUJYSPNHZ-UHFFFAOYSA-N
XLogP3.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.26
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3-chloro-4-methylsulfanylphenyl)butanamide
CID 119772469
4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride
CID 120558654
(2S)-2-amino-N-(3-chloro-4-methylsulfanylphenyl)propanamide
CID 119317108
4-amino-N-(4-chloro-3-methoxyphenyl)pentanamide
CID 107621685
4-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pentanamide;dihydrochloride
CID 120564955
5-amino-N-[3-chloro-4-(dimethylamino)phenyl]hexanamide
CID 82852474
5-amino-N-(3,4-difluorophenyl)hexanamide
CID 82848790
4-amino-N-[4-(2-methylsulfanylethyl)phenyl]pentanamide;hydrochloride
CID 120562087
4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide;hydrochloride
CID 120558603
2-amino-N-(3-chloro-4-methylsulfanylphenyl)-3-phenylpropanamide
CID 156652616
4-amino-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride
CID 120564262
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-chloro-4-methylsulfanylphenyl)acetamide;hydrochloride
CID 119772458

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-4-methylsulfanylphenyl)pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-(3-chloro-4-methylsulfanylphenyl)pentanamide;hydrochloride (CID 120562198) is 4-amino-N-(3-chloro-4-methylsulfanylphenyl)pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(3-chloro-4-methylsulfanylphenyl)pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(3-chloro-4-methylsulfanylphenyl)pentanamide;hydrochloride is CSc1ccc(NC(=O)CCC(C)N)cc1Cl.Cl.
What is the InChIKey of 4-amino-N-(3-chloro-4-methylsulfanylphenyl)pentanamide;hydrochloride?
The InChIKey is AULKLSUJYSPNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS.ClH/c1-8(14)3-6-12(16)15-9-4-5-11(17-2)10(13)7-9;/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,16);1H.
What are the key properties of 4-amino-N-(3-chloro-4-methylsulfanylphenyl)pentanamide;hydrochloride?
4-amino-N-(3-chloro-4-methylsulfanylphenyl)pentanamide;hydrochloride has a molecular weight of 309.26 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chloro-4-methylsulfanylphenyl)pentanamide;hydrochloride is sourced from PubChem (CID 120562198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).