4-methyl-2-(propylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide

C14H24N2O2S3 — CID 106089237

IUPAC4-methyl-2-(propylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide
SMILESCCCNCc1scc(C)c1S(=O)(=O)NCC1CCSC1
InChIInChI=1S/C14H24N2O2S3/c1-3-5-15-8-13-14(11(2)9-20-13)21(17,18)16-7-12-4-6-19-10-12/h9,12,15-16H,3-8,10H2,1-2H3
InChIKeyANWXYRIOSVDDTD-UHFFFAOYSA-N
MW348.56 g/mol
LogP2.59
Rot. Bonds8

About 4-methyl-2-(propylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide

4-methyl-2-(propylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide (PubChem CID 106089237) has the molecular formula C14H24N2O2S3 and a molecular weight of 348.56 g/mol. Its IUPAC name is 4-methyl-2-(propylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-(propylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide
PubChem CID106089237
Molecular FormulaC14H24N2O2S3
Molecular Weight348.56 g/mol
Exact Mass348.10
IUPAC Name4-methyl-2-(propylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide
SMILESCCCNCc1scc(C)c1S(=O)(=O)NCC1CCSC1
InChIInChI=1S/C14H24N2O2S3/c1-3-5-15-8-13-14(11(2)9-20-13)21(17,18)16-7-12-4-6-19-10-12/h9,12,15-16H,3-8,10H2,1-2H3
InChIKeyANWXYRIOSVDDTD-UHFFFAOYSA-N
XLogP2.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.56
LogP ≤ 52.59
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

N-(cyclopropylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102752081
N-(cyclopentylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106027277
4-methyl-N-(oxolan-3-ylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102753505
4-methyl-2-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide
CID 106081622
5-methyl-3-(propylaminomethyl)-N-(thiolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106089228
N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106026679
N-(2,2-dimethylcyclopropyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102753136
N',N',4-trimethyl-2-(propylaminomethyl)thiophene-3-sulfonohydrazide
CID 114141864
4-methyl-N-propan-2-yl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102751963
5-(ethylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide
CID 106089167
2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide
CID 106058141
2-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-3-yl)thiophene-3-sulfonamide
CID 106086348

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(propylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide?
The IUPAC name of 4-methyl-2-(propylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide (CID 106089237) is 4-methyl-2-(propylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 4-methyl-2-(propylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide?
The canonical SMILES for 4-methyl-2-(propylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide is CCCNCc1scc(C)c1S(=O)(=O)NCC1CCSC1.
What is the InChIKey of 4-methyl-2-(propylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide?
The InChIKey is ANWXYRIOSVDDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S3/c1-3-5-15-8-13-14(11(2)9-20-13)21(17,18)16-7-12-4-6-19-10-12/h9,12,15-16H,3-8,10H2,1-2H3.
What are the key properties of 4-methyl-2-(propylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide?
4-methyl-2-(propylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide has a molecular weight of 348.56 g/mol, XLogP of 2.59, 8 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-(thiolan-3-ylmethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106089237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).