2-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylacetamide

C10H13ClN2OS — CID 79150403

IUPAC2-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1ccc(N)c(Cl)c1
InChIInChI=1S/C10H13ClN2OS/c1-13(2)10(14)6-15-7-3-4-9(12)8(11)5-7/h3-5H,6,12H2,1-2H3
InChIKeySRBXGXKGMYHCGP-UHFFFAOYSA-N
MW244.75 g/mol
LogP2.10
Rot. Bonds3

About 2-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylacetamide

2-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylacetamide (PubChem CID 79150403) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is 2-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylacetamide
PubChem CID79150403
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name2-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1ccc(N)c(Cl)c1
InChIInChI=1S/C10H13ClN2OS/c1-13(2)10(14)6-15-7-3-4-9(12)8(11)5-7/h3-5H,6,12H2,1-2H3
InChIKeySRBXGXKGMYHCGP-UHFFFAOYSA-N
XLogP2.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-3-chlorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide
CID 79149801
2-(4-carbamimidoyl-3-chlorophenyl)sulfanyl-N,N-dimethylacetamide
CID 114233793
2-[3-chloro-4-(ethylaminomethyl)phenyl]sulfanyl-N,N-dimethylacetamide
CID 114234761
2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 79149634
4-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylbenzamide
CID 57327360
2-(4-amino-3-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 79149534
N-[2-(4-amino-3-chlorophenyl)sulfanylacetyl]benzamide
CID 79130535
2-chloro-4-propylsulfanylaniline
CID 79150326
2-(3,4-dichlorophenyl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 1486391
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethylacetamide
CID 60652446
2-acetamido-3-(4-amino-3-chlorophenyl)sulfanylpropanoic acid
CID 79149694
2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide
CID 79148103

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylacetamide?
The IUPAC name of 2-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylacetamide (CID 79150403) is 2-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylacetamide is CN(C)C(=O)CSc1ccc(N)c(Cl)c1.
What is the InChIKey of 2-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylacetamide?
The InChIKey is SRBXGXKGMYHCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c1-13(2)10(14)6-15-7-3-4-9(12)8(11)5-7/h3-5H,6,12H2,1-2H3.
What are the key properties of 2-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylacetamide?
2-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylacetamide has a molecular weight of 244.75 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylacetamide is sourced from PubChem (CID 79150403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).