N-(1-aminohexan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride

C14H22Cl2N2OS — CID 119667367

IUPACN-(1-aminohexan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1cc(SC)ccc1Cl.Cl
InChIInChI=1S/C14H21ClN2OS.ClH/c1-3-4-5-10(9-16)17-14(18)12-8-11(19-2)6-7-13(12)15;/h6-8,10H,3-5,9,16H2,1-2H3,(H,17,18);1H
InChIKeyOEQVQANTEZKVDY-UHFFFAOYSA-N
MW337.32 g/mol
LogP3.73
Rot. Bonds7

About N-(1-aminohexan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride

N-(1-aminohexan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride (PubChem CID 119667367) has the molecular formula C14H22Cl2N2OS and a molecular weight of 337.32 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride
PubChem CID119667367
Molecular FormulaC14H22Cl2N2OS
Molecular Weight337.32 g/mol
Exact Mass336.08
IUPAC NameN-(1-aminohexan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1cc(SC)ccc1Cl.Cl
InChIInChI=1S/C14H21ClN2OS.ClH/c1-3-4-5-10(9-16)17-14(18)12-8-11(19-2)6-7-13(12)15;/h6-8,10H,3-5,9,16H2,1-2H3,(H,17,18);1H
InChIKeyOEQVQANTEZKVDY-UHFFFAOYSA-N
XLogP3.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[(2R)-1-aminopropan-2-yl]-2-chloro-5-methylsulfanylbenzamide
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2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide
CID 4806698
2-chloro-N-(1-chloro-4-methylpentan-2-yl)-5-methylsulfanylbenzamide
CID 113272456
N-(1-aminohexan-2-yl)-2,4-difluorobenzamide
CID 80698461
N-(1-aminohexan-2-yl)-2,6-dimethylpyridine-3-carboxamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride (CID 119667367) is N-(1-aminohexan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride is CCCCC(CN)NC(=O)c1cc(SC)ccc1Cl.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride?
The InChIKey is OEQVQANTEZKVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2OS.ClH/c1-3-4-5-10(9-16)17-14(18)12-8-11(19-2)6-7-13(12)15;/h6-8,10H,3-5,9,16H2,1-2H3,(H,17,18);1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride?
N-(1-aminohexan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride has a molecular weight of 337.32 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride is sourced from PubChem (CID 119667367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).