2-[(4-propylphenyl)sulfonylamino]ethanethioamide

C11H16N2O2S2 — CID 61127492

IUPAC2-[(4-propylphenyl)sulfonylamino]ethanethioamide
SMILESCCCc1ccc(S(=O)(=O)NCC(N)=S)cc1
InChIInChI=1S/C11H16N2O2S2/c1-2-3-9-4-6-10(7-5-9)17(14,15)13-8-11(12)16/h4-7,13H,2-3,8H2,1H3,(H2,12,16)
InChIKeyARHFRJWROJCIEI-UHFFFAOYSA-N
MW272.40 g/mol
LogP1.20
Rot. Bonds6

About 2-[(4-propylphenyl)sulfonylamino]ethanethioamide

2-[(4-propylphenyl)sulfonylamino]ethanethioamide (PubChem CID 61127492) has the molecular formula C11H16N2O2S2 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-[(4-propylphenyl)sulfonylamino]ethanethioamide.

Molecular Properties

Compound Name2-[(4-propylphenyl)sulfonylamino]ethanethioamide
PubChem CID61127492
Molecular FormulaC11H16N2O2S2
Molecular Weight272.40 g/mol
Exact Mass272.07
IUPAC Name2-[(4-propylphenyl)sulfonylamino]ethanethioamide
SMILESCCCc1ccc(S(=O)(=O)NCC(N)=S)cc1
InChIInChI=1S/C11H16N2O2S2/c1-2-3-9-4-6-10(7-5-9)17(14,15)13-8-11(12)16/h4-7,13H,2-3,8H2,1H3,(H2,12,16)
InChIKeyARHFRJWROJCIEI-UHFFFAOYSA-N
XLogP1.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylprop-2-enyl)-4-propylbenzenesulfonamide
CID 114616423
3-[(4-propylphenyl)sulfonylamino]butanethioamide
CID 62093347
N-[4-[(2-amino-2-sulfanylideneethyl)sulfamoyl]phenyl]acetamide
CID 61127681
N-(3-aminopropyl)-4-propylbenzenesulfonamide
CID 43605819
N-(2-hydroxypropyl)-4-propylbenzenesulfonamide
CID 3391675
N-iodo-4-propylbenzenesulfonamide
CID 143564822
4-(2-aminoethyl)-N-ethylbenzenesulfonamide
CID 16643231
N-(2-ethylbutyl)-4-propylbenzenesulfonamide
CID 115613302
N-(2-hydroxy-2-methylbutyl)-4-propylbenzenesulfonamide
CID 65112900
methyl 4-methyl-2-[[2-[(4-propylphenyl)sulfonylamino]acetyl]amino]pentanoate
CID 3563326
2-[[4-(2-chloroethyl)phenyl]sulfonylamino]acetamide
CID 43662654
4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716159

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propylphenyl)sulfonylamino]ethanethioamide?
The IUPAC name of 2-[(4-propylphenyl)sulfonylamino]ethanethioamide (CID 61127492) is 2-[(4-propylphenyl)sulfonylamino]ethanethioamide.
What is the SMILES notation for 2-[(4-propylphenyl)sulfonylamino]ethanethioamide?
The canonical SMILES for 2-[(4-propylphenyl)sulfonylamino]ethanethioamide is CCCc1ccc(S(=O)(=O)NCC(N)=S)cc1.
What is the InChIKey of 2-[(4-propylphenyl)sulfonylamino]ethanethioamide?
The InChIKey is ARHFRJWROJCIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S2/c1-2-3-9-4-6-10(7-5-9)17(14,15)13-8-11(12)16/h4-7,13H,2-3,8H2,1H3,(H2,12,16).
What are the key properties of 2-[(4-propylphenyl)sulfonylamino]ethanethioamide?
2-[(4-propylphenyl)sulfonylamino]ethanethioamide has a molecular weight of 272.40 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propylphenyl)sulfonylamino]ethanethioamide is sourced from PubChem (CID 61127492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).