5-(propylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide

C14H24N2O2S3 — CID 106072161

IUPAC5-(propylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NCC2CCCCS2)cs1
InChIInChI=1S/C14H24N2O2S3/c1-2-6-15-9-13-8-14(11-20-13)21(17,18)16-10-12-5-3-4-7-19-12/h8,11-12,15-16H,2-7,9-10H2,1H3
InChIKeyJSAJIDUITIKVMI-UHFFFAOYSA-N
MW348.56 g/mol
LogP2.81
Rot. Bonds8

About 5-(propylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide

5-(propylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide (PubChem CID 106072161) has the molecular formula C14H24N2O2S3 and a molecular weight of 348.56 g/mol. Its IUPAC name is 5-(propylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(propylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide
PubChem CID106072161
Molecular FormulaC14H24N2O2S3
Molecular Weight348.56 g/mol
Exact Mass348.10
IUPAC Name5-(propylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NCC2CCCCS2)cs1
InChIInChI=1S/C14H24N2O2S3/c1-2-6-15-9-13-8-14(11-20-13)21(17,18)16-10-12-5-3-4-7-19-12/h8,11-12,15-16H,2-7,9-10H2,1H3
InChIKeyJSAJIDUITIKVMI-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
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-(1,4-dithian-2-ylmethyl)-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106078382
3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071732
2-bromo-5-(propylaminomethyl)-N-(thiolan-2-ylmethyl)thiophene-3-sulfonamide
CID 106071616
4-(propylamino)-N-(thian-2-ylmethyl)benzenesulfonamide
CID 80609830
5-(ethylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide
CID 106089167
N-(2-bicyclo[2.2.1]heptanyl)-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106067708
5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 106063032
N-(cyclopentylmethyl)-5-[(cyclopropylamino)methyl]thiophene-3-sulfonamide
CID 106026780
N-propyl-4-(thian-2-ylmethylamino)benzenesulfonamide
CID 80609269
N-[2-(2-methylpropoxy)ethyl]-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106085324
N-(3-methylsulfanylcyclopentyl)-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106092174
N-(cyclobutylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106024368

Frequently Asked Questions

What is the IUPAC name of 5-(propylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(propylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide (CID 106072161) is 5-(propylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(propylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(propylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide is CCCNCc1cc(S(=O)(=O)NCC2CCCCS2)cs1.
What is the InChIKey of 5-(propylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide?
The InChIKey is JSAJIDUITIKVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S3/c1-2-6-15-9-13-8-14(11-20-13)21(17,18)16-10-12-5-3-4-7-19-12/h8,11-12,15-16H,2-7,9-10H2,1H3.
What are the key properties of 5-(propylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide?
5-(propylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide has a molecular weight of 348.56 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106072161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).