N-(2-cyclopropylpropan-2-yl)-4-(propylaminomethyl)thiophene-2-sulfonamide

C14H24N2O2S2 — CID 106091189

IUPACN-(2-cyclopropylpropan-2-yl)-4-(propylaminomethyl)thiophene-2-sulfonamide
SMILESCCCNCc1csc(S(=O)(=O)NC(C)(C)C2CC2)c1
InChIInChI=1S/C14H24N2O2S2/c1-4-7-15-9-11-8-13(19-10-11)20(17,18)16-14(2,3)12-5-6-12/h8,10,12,15-16H,4-7,9H2,1-3H3
InChIKeyBAFLZPOLLYFWTD-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.71
Rot. Bonds8

About N-(2-cyclopropylpropan-2-yl)-4-(propylaminomethyl)thiophene-2-sulfonamide

N-(2-cyclopropylpropan-2-yl)-4-(propylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106091189) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is N-(2-cyclopropylpropan-2-yl)-4-(propylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropylpropan-2-yl)-4-(propylaminomethyl)thiophene-2-sulfonamide
PubChem CID106091189
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC NameN-(2-cyclopropylpropan-2-yl)-4-(propylaminomethyl)thiophene-2-sulfonamide
SMILESCCCNCc1csc(S(=O)(=O)NC(C)(C)C2CC2)c1
InChIInChI=1S/C14H24N2O2S2/c1-4-7-15-9-11-8-13(19-10-11)20(17,18)16-14(2,3)12-5-6-12/h8,10,12,15-16H,4-7,9H2,1-3H3
InChIKeyBAFLZPOLLYFWTD-UHFFFAOYSA-N
XLogP2.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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

N-(2-butoxyethyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106017589
N-(3-methylsulfanylpropyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106066323
N-[1-(dimethylamino)propan-2-yl]-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106074405
N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106055654
N-(2-methylsulfanylpropyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106077840
N-(1-methylsulfanylbutan-2-yl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106083905
N-(2-bromophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106061246
N-(1-methoxybutan-2-yl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106068312
4-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 106051386
4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)thiophene-2-sulfonamide
CID 103466229
N-(3-chlorophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106060490
N-[2-(1H-imidazol-2-yl)ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106085215

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropan-2-yl)-4-(propylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-cyclopropylpropan-2-yl)-4-(propylaminomethyl)thiophene-2-sulfonamide (CID 106091189) is N-(2-cyclopropylpropan-2-yl)-4-(propylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-cyclopropylpropan-2-yl)-4-(propylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-cyclopropylpropan-2-yl)-4-(propylaminomethyl)thiophene-2-sulfonamide is CCCNCc1csc(S(=O)(=O)NC(C)(C)C2CC2)c1.
What is the InChIKey of N-(2-cyclopropylpropan-2-yl)-4-(propylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is BAFLZPOLLYFWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-4-7-15-9-11-8-13(19-10-11)20(17,18)16-14(2,3)12-5-6-12/h8,10,12,15-16H,4-7,9H2,1-3H3.
What are the key properties of N-(2-cyclopropylpropan-2-yl)-4-(propylaminomethyl)thiophene-2-sulfonamide?
N-(2-cyclopropylpropan-2-yl)-4-(propylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 316.49 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropan-2-yl)-4-(propylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106091189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).