2-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-methylpentanamide;hydrochloride

C14H22Cl2N2O2S — CID 119790140

IUPAC2-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc(Cl)c(CS(C)=O)c1.Cl
InChIInChI=1S/C14H21ClN2O2S.ClH/c1-4-7-14(2,16)13(18)17-11-5-6-12(15)10(8-11)9-20(3)19;/h5-6,8H,4,7,9,16H2,1-3H3,(H,17,18);1H
InChIKeyTUCPULDKOOWJFC-UHFFFAOYSA-N
MW353.32 g/mol
LogP3.10
Rot. Bonds6

About 2-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-methylpentanamide;hydrochloride

2-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-methylpentanamide;hydrochloride (PubChem CID 119790140) has the molecular formula C14H22Cl2N2O2S and a molecular weight of 353.32 g/mol. Its IUPAC name is 2-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-methylpentanamide;hydrochloride
PubChem CID119790140
Molecular FormulaC14H22Cl2N2O2S
Molecular Weight353.32 g/mol
Exact Mass352.08
IUPAC Name2-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc(Cl)c(CS(C)=O)c1.Cl
InChIInChI=1S/C14H21ClN2O2S.ClH/c1-4-7-14(2,16)13(18)17-11-5-6-12(15)10(8-11)9-20(3)19;/h5-6,8H,4,7,9,16H2,1-3H3,(H,17,18);1H
InChIKeyTUCPULDKOOWJFC-UHFFFAOYSA-N
XLogP3.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119711593
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CID 119781400
5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-methylbenzamide;hydrochloride
CID 119738495
N-(5-acetamido-2-chlorophenyl)-2-amino-2-methylpentanamide;hydrochloride
CID 119707643
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CID 119790098
2-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylpentanamide;hydrochloride
CID 119715576
5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
CID 119713294
4-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]butanamide;hydrochloride
CID 119327327
4-chloro-N-(2,2-dimethylpropyl)-3-(methylsulfinylmethyl)aniline
CID 86787782
2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride
CID 119735835
2-amino-2-methyl-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]pentanamide
CID 119790095
7-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]heptanamide
CID 119790101

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-methylpentanamide;hydrochloride (CID 119790140) is 2-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)Nc1ccc(Cl)c(CS(C)=O)c1.Cl.
What is the InChIKey of 2-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-methylpentanamide;hydrochloride?
The InChIKey is TUCPULDKOOWJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S.ClH/c1-4-7-14(2,16)13(18)17-11-5-6-12(15)10(8-11)9-20(3)19;/h5-6,8H,4,7,9,16H2,1-3H3,(H,17,18);1H.
What are the key properties of 2-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-methylpentanamide;hydrochloride?
2-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-methylpentanamide;hydrochloride has a molecular weight of 353.32 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119790140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).