N-(3-methylpentan-3-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide

C14H26N2O2S2 — CID 106331888

IUPACN-(3-methylpentan-3-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1sccc1S(=O)(=O)NC(C)(CC)CC
InChIInChI=1S/C14H26N2O2S2/c1-5-9-15-11-12-13(8-10-19-12)20(17,18)16-14(4,6-2)7-3/h8,10,15-16H,5-7,9,11H2,1-4H3
InChIKeyWVQSUGXHNJQEMV-UHFFFAOYSA-N
MW318.51 g/mol
LogP3.10
Rot. Bonds9

About N-(3-methylpentan-3-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide

N-(3-methylpentan-3-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106331888) has the molecular formula C14H26N2O2S2 and a molecular weight of 318.51 g/mol. Its IUPAC name is N-(3-methylpentan-3-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-methylpentan-3-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
PubChem CID106331888
Molecular FormulaC14H26N2O2S2
Molecular Weight318.51 g/mol
Exact Mass318.14
IUPAC NameN-(3-methylpentan-3-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1sccc1S(=O)(=O)NC(C)(CC)CC
InChIInChI=1S/C14H26N2O2S2/c1-5-9-15-11-12-13(8-10-19-12)20(17,18)16-14(4,6-2)7-3/h8,10,15-16H,5-7,9,11H2,1-4H3
InChIKeyWVQSUGXHNJQEMV-UHFFFAOYSA-N
XLogP3.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 53.10
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-(methylaminomethyl)-N-(3-methylpentan-3-yl)thiophene-3-sulfonamide
CID 114174631
N-(2-methyl-2-methylsulfanylpropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106080826
2-(propylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-sulfonamide
CID 79361702
N-(4-bromophenyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106061353
N-[2-(dimethylamino)propyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106017177
2-(propylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 106088593
N-(5-methyl-1,3-thiazol-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106060935
N-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106026704
N-(2-ethoxypropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106078715
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106082739
N-[2-(2-methylpropoxy)ethyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106085314
N-(4-ethylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106084591

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-3-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(3-methylpentan-3-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide (CID 106331888) is N-(3-methylpentan-3-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(3-methylpentan-3-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(3-methylpentan-3-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide is CCCNCc1sccc1S(=O)(=O)NC(C)(CC)CC.
What is the InChIKey of N-(3-methylpentan-3-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is WVQSUGXHNJQEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S2/c1-5-9-15-11-12-13(8-10-19-12)20(17,18)16-14(4,6-2)7-3/h8,10,15-16H,5-7,9,11H2,1-4H3.
What are the key properties of N-(3-methylpentan-3-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
N-(3-methylpentan-3-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 318.51 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentan-3-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106331888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).