4-methyl-N-piperidin-1-yl-5-(propylaminomethyl)thiophene-2-sulfonamide

C14H25N3O2S2 — CID 106075417

IUPAC4-methyl-N-piperidin-1-yl-5-(propylaminomethyl)thiophene-2-sulfonamide
SMILESCCCNCc1sc(S(=O)(=O)NN2CCCCC2)cc1C
InChIInChI=1S/C14H25N3O2S2/c1-3-7-15-11-13-12(2)10-14(20-13)21(18,19)16-17-8-5-4-6-9-17/h10,15-16H,3-9,11H2,1-2H3
InChIKeyVPZRSYLZRVLNIT-UHFFFAOYSA-N
MW331.51 g/mol
LogP2.24
Rot. Bonds7

About 4-methyl-N-piperidin-1-yl-5-(propylaminomethyl)thiophene-2-sulfonamide

4-methyl-N-piperidin-1-yl-5-(propylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106075417) has the molecular formula C14H25N3O2S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is 4-methyl-N-piperidin-1-yl-5-(propylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-piperidin-1-yl-5-(propylaminomethyl)thiophene-2-sulfonamide
PubChem CID106075417
Molecular FormulaC14H25N3O2S2
Molecular Weight331.51 g/mol
Exact Mass331.14
IUPAC Name4-methyl-N-piperidin-1-yl-5-(propylaminomethyl)thiophene-2-sulfonamide
SMILESCCCNCc1sc(S(=O)(=O)NN2CCCCC2)cc1C
InChIInChI=1S/C14H25N3O2S2/c1-3-7-15-11-13-12(2)10-14(20-13)21(18,19)16-17-8-5-4-6-9-17/h10,15-16H,3-9,11H2,1-2H3
InChIKeyVPZRSYLZRVLNIT-UHFFFAOYSA-N
XLogP2.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 52.24
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-cyclobutylethyl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106084948
N-(3,3-dimethylbutan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106079253
N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106080757
4-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106072586
N-piperidin-1-yl-3-(propylaminomethyl)benzenesulfonamide
CID 106075384
N-(4-methoxybutan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106067648
5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 106025123
N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 115988696
5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-3-yl)thiophene-2-sulfonamide
CID 106017747
5-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide
CID 106031981
5-(ethylaminomethyl)-4-methyl-N-(3-methylcyclopentyl)thiophene-2-sulfonamide
CID 114551969
4-(ethylamino)-2,6-dimethyl-N-piperidin-1-ylbenzenesulfonamide
CID 107329086

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-piperidin-1-yl-5-(propylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of 4-methyl-N-piperidin-1-yl-5-(propylaminomethyl)thiophene-2-sulfonamide (CID 106075417) is 4-methyl-N-piperidin-1-yl-5-(propylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-methyl-N-piperidin-1-yl-5-(propylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-methyl-N-piperidin-1-yl-5-(propylaminomethyl)thiophene-2-sulfonamide is CCCNCc1sc(S(=O)(=O)NN2CCCCC2)cc1C.
What is the InChIKey of 4-methyl-N-piperidin-1-yl-5-(propylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is VPZRSYLZRVLNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S2/c1-3-7-15-11-13-12(2)10-14(20-13)21(18,19)16-17-8-5-4-6-9-17/h10,15-16H,3-9,11H2,1-2H3.
What are the key properties of 4-methyl-N-piperidin-1-yl-5-(propylaminomethyl)thiophene-2-sulfonamide?
4-methyl-N-piperidin-1-yl-5-(propylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 331.51 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-piperidin-1-yl-5-(propylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106075417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).