N-[[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]propan-1-amine

C15H26N2O2S2 — CID 83220194

IUPACN-[[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1sccc1S(=O)(=O)N1C(C)CCC1CC
InChIInChI=1S/C15H26N2O2S2/c1-4-9-16-11-14-15(8-10-20-14)21(18,19)17-12(3)6-7-13(17)5-2/h8,10,12-13,16H,4-7,9,11H2,1-3H3
InChIKeyJCOLPVRHNMSFEN-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.20
Rot. Bonds7

About N-[[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]propan-1-amine

N-[[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]propan-1-amine (PubChem CID 83220194) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is N-[[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]propan-1-amine
PubChem CID83220194
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC NameN-[[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1sccc1S(=O)(=O)N1C(C)CCC1CC
InChIInChI=1S/C15H26N2O2S2/c1-4-9-16-11-14-15(8-10-20-14)21(18,19)17-12(3)6-7-13(17)5-2/h8,10,12-13,16H,4-7,9,11H2,1-3H3
InChIKeyJCOLPVRHNMSFEN-UHFFFAOYSA-N
XLogP3.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(propylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-sulfonamide
CID 79361702
N-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106026704
N-[[5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine
CID 83224006
N-(3-methylcyclohexyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106027355
2-ethyl-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidine
CID 83228170
methyl 2-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylbenzoate
CID 102920588
2-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-N-propylpyridin-3-amine
CID 103306947
N-(3-methylpentan-3-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106331888
1-(2,5-dibromo-4-methylphenyl)sulfonyl-2-ethyl-5-methylpyrrolidine
CID 83220667
N-[[3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine
CID 114597734
N-(4-bromophenyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106061353
N-(2-methyl-2-methylsulfanylpropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106080826

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]propan-1-amine (CID 83220194) is N-[[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]propan-1-amine is CCCNCc1sccc1S(=O)(=O)N1C(C)CCC1CC.
What is the InChIKey of N-[[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]propan-1-amine?
The InChIKey is JCOLPVRHNMSFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-4-9-16-11-14-15(8-10-20-14)21(18,19)17-12(3)6-7-13(17)5-2/h8,10,12-13,16H,4-7,9,11H2,1-3H3.
What are the key properties of N-[[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]propan-1-amine?
N-[[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]propan-1-amine has a molecular weight of 330.52 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 83220194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).