2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]thiophene

C13H16N2O2S2 — CID 35330698

IUPAC2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]thiophene
SMILESCN(C)S(=O)(=O)N[C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C13H16N2O2S2/c1-15(2)19(16,17)14-13(12-9-6-10-18-12)11-7-4-3-5-8-11/h3-10,13-14H,1-2H3/t13-/m0/s1
InChIKeyPWLTUDXZKVHRMT-ZDUSSCGKSA-N
MW296.42 g/mol
LogP2.23
Rot. Bonds5

About 2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]thiophene

2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]thiophene (PubChem CID 35330698) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]thiophene.

Molecular Properties

Compound Name2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]thiophene
PubChem CID35330698
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Name2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]thiophene
SMILESCN(C)S(=O)(=O)N[C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C13H16N2O2S2/c1-15(2)19(16,17)14-13(12-9-6-10-18-12)11-7-4-3-5-8-11/h3-10,13-14H,1-2H3/t13-/m0/s1
InChIKeyPWLTUDXZKVHRMT-ZDUSSCGKSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Jnj 26990990
CID 11687376
[4-(Thiophen-2-yl)phenyl]methanamine
CID 2776332
N-benzylthiophene-2-sulfonamide
CID 765826
(5-Phenylthiophen-2-yl)methanamine
CID 11993875
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
N-methyl-1-(2-thiophen-2-ylphenyl)methanamine
CID 7060565
N-[1-(4-methylphenyl)propyl]thiophene-2-sulfonamide
CID 4768760
4-{2-[(2-Thienylmethyl)amino]ethyl}benzenesulfonamide hydrochloride
CID 2968958
N-Methyl-N-(3-thien-3-ylbenzyl)amine
CID 18525825
N-Methyl-N-(3-thien-2-ylbenzyl)amine
CID 18525772
N-(4-methylbenzyl)-N'-(2-thienylmethyl)sulfamide
CID 1475434
N-benzyl-N-methylthiophene-2-sulfonamide
CID 3157268

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]thiophene?
The IUPAC name of 2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]thiophene (CID 35330698) is 2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]thiophene.
What is the SMILES notation for 2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]thiophene?
The canonical SMILES for 2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]thiophene is CN(C)S(=O)(=O)N[C@@H](c1ccccc1)c1cccs1.
What is the InChIKey of 2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]thiophene?
The InChIKey is PWLTUDXZKVHRMT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-15(2)19(16,17)14-13(12-9-6-10-18-12)11-7-4-3-5-8-11/h3-10,13-14H,1-2H3/t13-/m0/s1.
What are the key properties of 2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]thiophene?
2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]thiophene has a molecular weight of 296.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]thiophene is sourced from PubChem (CID 35330698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).