2-[(cyclopropylamino)methyl]-N-(4-methylpentyl)thiophene-3-sulfonamide

C14H24N2O2S2 — CID 106017003

IUPAC2-[(cyclopropylamino)methyl]-N-(4-methylpentyl)thiophene-3-sulfonamide
SMILESCC(C)CCCNS(=O)(=O)c1ccsc1CNC1CC1
InChIInChI=1S/C14H24N2O2S2/c1-11(2)4-3-8-16-20(17,18)14-7-9-19-13(14)10-15-12-5-6-12/h7,9,11-12,15-16H,3-6,8,10H2,1-2H3
InChIKeyZYASPPFCIGOUKN-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.71
Rot. Bonds9

About 2-[(cyclopropylamino)methyl]-N-(4-methylpentyl)thiophene-3-sulfonamide

2-[(cyclopropylamino)methyl]-N-(4-methylpentyl)thiophene-3-sulfonamide (PubChem CID 106017003) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-N-(4-methylpentyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-N-(4-methylpentyl)thiophene-3-sulfonamide
PubChem CID106017003
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC Name2-[(cyclopropylamino)methyl]-N-(4-methylpentyl)thiophene-3-sulfonamide
SMILESCC(C)CCCNS(=O)(=O)c1ccsc1CNC1CC1
InChIInChI=1S/C14H24N2O2S2/c1-11(2)4-3-8-16-20(17,18)14-7-9-19-13(14)10-15-12-5-6-12/h7,9,11-12,15-16H,3-6,8,10H2,1-2H3
InChIKeyZYASPPFCIGOUKN-UHFFFAOYSA-N
XLogP2.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(cyclopropylamino)methyl]-N-(5-methoxypentyl)thiophene-3-sulfonamide
CID 106092757
2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)thiophene-3-sulfonamide
CID 106019845
2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 114141131
2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106030004
2-(aminomethyl)-N-(7-methyloctyl)thiophene-3-sulfonamide
CID 107818682
2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 106059176
N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106059096
3-(4-methylpentylsulfamoyl)thiophene-2-carboxylic acid
CID 60745563
2-[(cyclopropylamino)methyl]-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
CID 106077237
2-[(cyclopropylamino)methyl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106068037
2-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-3-sulfonamide
CID 106063961
N-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114132383

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-N-(4-methylpentyl)thiophene-3-sulfonamide?
The IUPAC name of 2-[(cyclopropylamino)methyl]-N-(4-methylpentyl)thiophene-3-sulfonamide (CID 106017003) is 2-[(cyclopropylamino)methyl]-N-(4-methylpentyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-N-(4-methylpentyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-N-(4-methylpentyl)thiophene-3-sulfonamide is CC(C)CCCNS(=O)(=O)c1ccsc1CNC1CC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-N-(4-methylpentyl)thiophene-3-sulfonamide?
The InChIKey is ZYASPPFCIGOUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-11(2)4-3-8-16-20(17,18)14-7-9-19-13(14)10-15-12-5-6-12/h7,9,11-12,15-16H,3-6,8,10H2,1-2H3.
What are the key properties of 2-[(cyclopropylamino)methyl]-N-(4-methylpentyl)thiophene-3-sulfonamide?
2-[(cyclopropylamino)methyl]-N-(4-methylpentyl)thiophene-3-sulfonamide has a molecular weight of 316.49 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-N-(4-methylpentyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106017003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).