4-methyl-2-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide

C14H24N2O2S3 — CID 106081622

IUPAC4-methyl-2-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide
SMILESCCCNCc1scc(C)c1S(=O)(=O)NC1CCCSC1
InChIInChI=1S/C14H24N2O2S3/c1-3-6-15-8-13-14(11(2)9-20-13)21(17,18)16-12-5-4-7-19-10-12/h9,12,15-16H,3-8,10H2,1-2H3
InChIKeyGEGQMLLXCLDPIL-UHFFFAOYSA-N
MW348.56 g/mol
LogP2.73
Rot. Bonds7

About 4-methyl-2-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide

4-methyl-2-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide (PubChem CID 106081622) has the molecular formula C14H24N2O2S3 and a molecular weight of 348.56 g/mol. Its IUPAC name is 4-methyl-2-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide
PubChem CID106081622
Molecular FormulaC14H24N2O2S3
Molecular Weight348.56 g/mol
Exact Mass348.10
IUPAC Name4-methyl-2-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide
SMILESCCCNCc1scc(C)c1S(=O)(=O)NC1CCCSC1
InChIInChI=1S/C14H24N2O2S3/c1-3-6-15-8-13-14(11(2)9-20-13)21(17,18)16-12-5-4-7-19-10-12/h9,12,15-16H,3-8,10H2,1-2H3
InChIKeyGEGQMLLXCLDPIL-UHFFFAOYSA-N
XLogP2.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.56
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-3-yl)thiophene-3-sulfonamide
CID 106086348
4-methyl-2-(propylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide
CID 106089237
N-(2,2-dimethylcyclopropyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102753136
N-(cyclopentylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106027277
N-(cyclopropylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102752081
2-bromo-5-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide
CID 106081454
4-methyl-N-propan-2-yl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102751963
2-methyl-5-(propylaminomethyl)-N-(thian-3-yl)furan-3-sulfonamide
CID 106081609
N',N',4-trimethyl-2-(propylaminomethyl)thiophene-3-sulfonohydrazide
CID 114141864
N-cyclohexyl-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102751897
4-methyl-N-(oxolan-3-ylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102753505
4-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106084023

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide?
The IUPAC name of 4-methyl-2-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide (CID 106081622) is 4-methyl-2-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 4-methyl-2-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for 4-methyl-2-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide is CCCNCc1scc(C)c1S(=O)(=O)NC1CCCSC1.
What is the InChIKey of 4-methyl-2-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide?
The InChIKey is GEGQMLLXCLDPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S3/c1-3-6-15-8-13-14(11(2)9-20-13)21(17,18)16-12-5-4-7-19-10-12/h9,12,15-16H,3-8,10H2,1-2H3.
What are the key properties of 4-methyl-2-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide?
4-methyl-2-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide has a molecular weight of 348.56 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 106081622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).