N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(thiolan-3-yl)thiophene-3-sulfonamide

C14H24N2O2S3 — CID 102751502

IUPACN,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(thiolan-3-yl)thiophene-3-sulfonamide
SMILESCc1csc(CNC(C)C)c1S(=O)(=O)N(C)C1CCSC1
InChIInChI=1S/C14H24N2O2S3/c1-10(2)15-7-13-14(11(3)8-20-13)21(17,18)16(4)12-5-6-19-9-12/h8,10,12,15H,5-7,9H2,1-4H3
InChIKeyGXRFLPGRHZIQQH-UHFFFAOYSA-N
MW348.56 g/mol
LogP2.68
Rot. Bonds6

About N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(thiolan-3-yl)thiophene-3-sulfonamide

N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(thiolan-3-yl)thiophene-3-sulfonamide (PubChem CID 102751502) has the molecular formula C14H24N2O2S3 and a molecular weight of 348.56 g/mol. Its IUPAC name is N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(thiolan-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(thiolan-3-yl)thiophene-3-sulfonamide
PubChem CID102751502
Molecular FormulaC14H24N2O2S3
Molecular Weight348.56 g/mol
Exact Mass348.10
IUPAC NameN,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(thiolan-3-yl)thiophene-3-sulfonamide
SMILESCc1csc(CNC(C)C)c1S(=O)(=O)N(C)C1CCSC1
InChIInChI=1S/C14H24N2O2S3/c1-10(2)15-7-13-14(11(3)8-20-13)21(17,18)16(4)12-5-6-19-9-12/h8,10,12,15H,5-7,9H2,1-4H3
InChIKeyGXRFLPGRHZIQQH-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.56
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(thiolan-3-yl)thiophene-3-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(thiolan-3-yl)thiophene-3-sulfonamide?
The IUPAC name of N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(thiolan-3-yl)thiophene-3-sulfonamide (CID 102751502) is N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(thiolan-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(thiolan-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(thiolan-3-yl)thiophene-3-sulfonamide is Cc1csc(CNC(C)C)c1S(=O)(=O)N(C)C1CCSC1.
What is the InChIKey of N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(thiolan-3-yl)thiophene-3-sulfonamide?
The InChIKey is GXRFLPGRHZIQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S3/c1-10(2)15-7-13-14(11(3)8-20-13)21(17,18)16(4)12-5-6-19-9-12/h8,10,12,15H,5-7,9H2,1-4H3.
What are the key properties of N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(thiolan-3-yl)thiophene-3-sulfonamide?
N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(thiolan-3-yl)thiophene-3-sulfonamide has a molecular weight of 348.56 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(thiolan-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 102751502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).