4-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide

C14H26N2O2S3 — CID 106084023

IUPAC4-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1scc(C)c1S(=O)(=O)NC(CC)CSC
InChIInChI=1S/C14H26N2O2S3/c1-5-7-15-8-13-14(11(3)9-20-13)21(17,18)16-12(6-2)10-19-4/h9,12,15-16H,5-8,10H2,1-4H3
InChIKeyKDSHNRUGXJZHDU-UHFFFAOYSA-N
MW350.58 g/mol
LogP2.98
Rot. Bonds10

About 4-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide

4-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106084023) has the molecular formula C14H26N2O2S3 and a molecular weight of 350.58 g/mol. Its IUPAC name is 4-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
PubChem CID106084023
Molecular FormulaC14H26N2O2S3
Molecular Weight350.58 g/mol
Exact Mass350.12
IUPAC Name4-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1scc(C)c1S(=O)(=O)NC(CC)CSC
InChIInChI=1S/C14H26N2O2S3/c1-5-7-15-8-13-14(11(3)9-20-13)21(17,18)16-12(6-2)10-19-4/h9,12,15-16H,5-8,10H2,1-4H3
InChIKeyKDSHNRUGXJZHDU-UHFFFAOYSA-N
XLogP2.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.58
LogP ≤ 52.98
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

4-methyl-N-propan-2-yl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102751963
2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 106032001
N-hexan-3-yl-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106055304
N-(1-methylsulfanylbutan-2-yl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106083905
N',N',4-trimethyl-2-(propylaminomethyl)thiophene-3-sulfonohydrazide
CID 114141864
2-(hydroxymethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 114132226
N-(2,2-dimethylcyclopropyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102753136
N-(cyclopropylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102752081
2-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)-4-methylthiophene-3-sulfonamide
CID 106068456
N-(cyclopentylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106027277
4-methyl-2-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide
CID 106081622
2-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide
CID 106093653

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of 4-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide (CID 106084023) is 4-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 4-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for 4-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide is CCCNCc1scc(C)c1S(=O)(=O)NC(CC)CSC.
What is the InChIKey of 4-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is KDSHNRUGXJZHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S3/c1-5-7-15-8-13-14(11(3)9-20-13)21(17,18)16-12(6-2)10-19-4/h9,12,15-16H,5-8,10H2,1-4H3.
What are the key properties of 4-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
4-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 350.58 g/mol, XLogP of 2.98, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106084023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).