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

C14H24N2O3S2 — CID 102753505

IUPAC4-methyl-N-(oxolan-3-ylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1scc(C)c1S(=O)(=O)NCC1CCOC1
InChIInChI=1S/C14H24N2O3S2/c1-3-5-15-8-13-14(11(2)10-20-13)21(17,18)16-7-12-4-6-19-9-12/h10,12,15-16H,3-9H2,1-2H3
InChIKeyZDRPHURHKDCQNW-UHFFFAOYSA-N
MW332.49 g/mol
LogP1.87
Rot. Bonds8

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

4-methyl-N-(oxolan-3-ylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide (PubChem CID 102753505) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 4-methyl-N-(oxolan-3-ylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-(oxolan-3-ylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
PubChem CID102753505
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC Name4-methyl-N-(oxolan-3-ylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1scc(C)c1S(=O)(=O)NCC1CCOC1
InChIInChI=1S/C14H24N2O3S2/c1-3-5-15-8-13-14(11(2)10-20-13)21(17,18)16-7-12-4-6-19-9-12/h10,12,15-16H,3-9H2,1-2H3
InChIKeyZDRPHURHKDCQNW-UHFFFAOYSA-N
XLogP1.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.87
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-2-(propylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide
CID 106089237
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
3-amino-2,6-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61114424
4-methyl-2-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide
CID 106081622
2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide
CID 106058141
N-(oxolan-3-ylmethyl)-4-(propylamino)benzenesulfonamide
CID 62825077
N-[[3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-methylthiophen-2-yl]methyl]propan-1-amine
CID 102752734

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(oxolan-3-ylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of 4-methyl-N-(oxolan-3-ylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide (CID 102753505) is 4-methyl-N-(oxolan-3-ylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 4-methyl-N-(oxolan-3-ylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for 4-methyl-N-(oxolan-3-ylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide is CCCNCc1scc(C)c1S(=O)(=O)NCC1CCOC1.
What is the InChIKey of 4-methyl-N-(oxolan-3-ylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is ZDRPHURHKDCQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-3-5-15-8-13-14(11(2)10-20-13)21(17,18)16-7-12-4-6-19-9-12/h10,12,15-16H,3-9H2,1-2H3.
What are the key properties of 4-methyl-N-(oxolan-3-ylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
4-methyl-N-(oxolan-3-ylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 332.49 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(oxolan-3-ylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102753505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).