N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfanylacetamide;hydrochloride

C12H18Cl2N2OS — CID 119628554

IUPACN-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfanylacetamide;hydrochloride
SMILESCC(C)(N)CNC(=O)CSc1ccc(Cl)cc1.Cl
InChIInChI=1S/C12H17ClN2OS.ClH/c1-12(2,14)8-15-11(16)7-17-10-5-3-9(13)4-6-10;/h3-6H,7-8,14H2,1-2H3,(H,15,16);1H
InChIKeyXRWKDTUKGDTYAK-UHFFFAOYSA-N
MW309.26 g/mol
LogP2.71
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfanylacetamide;hydrochloride

N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfanylacetamide;hydrochloride (PubChem CID 119628554) has the molecular formula C12H18Cl2N2OS and a molecular weight of 309.26 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfanylacetamide;hydrochloride
PubChem CID119628554
Molecular FormulaC12H18Cl2N2OS
Molecular Weight309.26 g/mol
Exact Mass308.05
IUPAC NameN-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfanylacetamide;hydrochloride
SMILESCC(C)(N)CNC(=O)CSc1ccc(Cl)cc1.Cl
InChIInChI=1S/C12H17ClN2OS.ClH/c1-12(2,14)8-15-11(16)7-17-10-5-3-9(13)4-6-10;/h3-6H,7-8,14H2,1-2H3,(H,15,16);1H
InChIKeyXRWKDTUKGDTYAK-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
CID 119625677
N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 119642078
2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 103825250
2-(4-chlorophenyl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65113544
N-(2-amino-2-methylpropyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide;hydrochloride
CID 119033350
2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 875637
2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid
CID 676713
2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide
CID 43391209
N-(2-amino-2-ethylbutyl)-2-(4-hydroxyphenyl)sulfanylacetamide;hydrochloride
CID 119640688
N-(2-amino-2-methylpropyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 119628946
2-(4-chlorophenyl)sulfanyl-N-(3-methylbutyl)acetamide
CID 112781367
2-(4-chlorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 94844150

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfanylacetamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfanylacetamide;hydrochloride (CID 119628554) is N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfanylacetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfanylacetamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfanylacetamide;hydrochloride is CC(C)(N)CNC(=O)CSc1ccc(Cl)cc1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfanylacetamide;hydrochloride?
The InChIKey is XRWKDTUKGDTYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS.ClH/c1-12(2,14)8-15-11(16)7-17-10-5-3-9(13)4-6-10;/h3-6H,7-8,14H2,1-2H3,(H,15,16);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfanylacetamide;hydrochloride?
N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfanylacetamide;hydrochloride has a molecular weight of 309.26 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfanylacetamide;hydrochloride is sourced from PubChem (CID 119628554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).