N-(1-aminopentan-2-yl)-2-chloro-5-methylsulfanylbenzamide

C13H19ClN2OS — CID 65191370

IUPACN-(1-aminopentan-2-yl)-2-chloro-5-methylsulfanylbenzamide
SMILESCCCC(CN)NC(=O)c1cc(SC)ccc1Cl
InChIInChI=1S/C13H19ClN2OS/c1-3-4-9(8-15)16-13(17)11-7-10(18-2)5-6-12(11)14/h5-7,9H,3-4,8,15H2,1-2H3,(H,16,17)
InChIKeyCWKUYXCIWJIHTH-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.92
Rot. Bonds6

About N-(1-aminopentan-2-yl)-2-chloro-5-methylsulfanylbenzamide

N-(1-aminopentan-2-yl)-2-chloro-5-methylsulfanylbenzamide (PubChem CID 65191370) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is N-(1-aminopentan-2-yl)-2-chloro-5-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(1-aminopentan-2-yl)-2-chloro-5-methylsulfanylbenzamide
PubChem CID65191370
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC NameN-(1-aminopentan-2-yl)-2-chloro-5-methylsulfanylbenzamide
SMILESCCCC(CN)NC(=O)c1cc(SC)ccc1Cl
InChIInChI=1S/C13H19ClN2OS/c1-3-4-9(8-15)16-13(17)11-7-10(18-2)5-6-12(11)14/h5-7,9H,3-4,8,15H2,1-2H3,(H,16,17)
InChIKeyCWKUYXCIWJIHTH-UHFFFAOYSA-N
XLogP2.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride
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CID 119587581
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
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N-(1-aminopentan-2-yl)-3-chloro-2-methylbenzamide
CID 107098204
2-chloro-N-(2-ethylbutyl)-5-methylsulfanylbenzamide
CID 115612538
N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 61379070
4-amino-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-4-oxobutanoic acid
CID 43240153
N-(1-aminopentan-2-yl)-5-fluoro-2-hydroxybenzamide
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CID 65191269
tert-butyl (2R)-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]propanoate
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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-2-yl)-2-chloro-5-methylsulfanylbenzamide?
The IUPAC name of N-(1-aminopentan-2-yl)-2-chloro-5-methylsulfanylbenzamide (CID 65191370) is N-(1-aminopentan-2-yl)-2-chloro-5-methylsulfanylbenzamide.
What is the SMILES notation for N-(1-aminopentan-2-yl)-2-chloro-5-methylsulfanylbenzamide?
The canonical SMILES for N-(1-aminopentan-2-yl)-2-chloro-5-methylsulfanylbenzamide is CCCC(CN)NC(=O)c1cc(SC)ccc1Cl.
What is the InChIKey of N-(1-aminopentan-2-yl)-2-chloro-5-methylsulfanylbenzamide?
The InChIKey is CWKUYXCIWJIHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c1-3-4-9(8-15)16-13(17)11-7-10(18-2)5-6-12(11)14/h5-7,9H,3-4,8,15H2,1-2H3,(H,16,17).
What are the key properties of N-(1-aminopentan-2-yl)-2-chloro-5-methylsulfanylbenzamide?
N-(1-aminopentan-2-yl)-2-chloro-5-methylsulfanylbenzamide has a molecular weight of 286.83 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-2-yl)-2-chloro-5-methylsulfanylbenzamide is sourced from PubChem (CID 65191370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).