N-(1-thiophen-3-ylethyl)propane-2-sulfonamide

C9H15NO2S2 — CID 64586301

IUPACN-(1-thiophen-3-ylethyl)propane-2-sulfonamide
SMILESCC(NS(=O)(=O)C(C)C)c1ccsc1
InChIInChI=1S/C9H15NO2S2/c1-7(2)14(11,12)10-8(3)9-4-5-13-6-9/h4-8,10H,1-3H3
InChIKeyHSBICWVZGZZNIH-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.14
Rot. Bonds4

About N-(1-thiophen-3-ylethyl)propane-2-sulfonamide

N-(1-thiophen-3-ylethyl)propane-2-sulfonamide (PubChem CID 64586301) has the molecular formula C9H15NO2S2 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-(1-thiophen-3-ylethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-thiophen-3-ylethyl)propane-2-sulfonamide
PubChem CID64586301
Molecular FormulaC9H15NO2S2
Molecular Weight233.36 g/mol
Exact Mass233.05
IUPAC NameN-(1-thiophen-3-ylethyl)propane-2-sulfonamide
SMILESCC(NS(=O)(=O)C(C)C)c1ccsc1
InChIInChI=1S/C9H15NO2S2/c1-7(2)14(11,12)10-8(3)9-4-5-13-6-9/h4-8,10H,1-3H3
InChIKeyHSBICWVZGZZNIH-UHFFFAOYSA-N
XLogP2.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-3-ylethyl)propane-2-sulfonamide?
The IUPAC name of N-(1-thiophen-3-ylethyl)propane-2-sulfonamide (CID 64586301) is N-(1-thiophen-3-ylethyl)propane-2-sulfonamide.
What is the SMILES notation for N-(1-thiophen-3-ylethyl)propane-2-sulfonamide?
The canonical SMILES for N-(1-thiophen-3-ylethyl)propane-2-sulfonamide is CC(NS(=O)(=O)C(C)C)c1ccsc1.
What is the InChIKey of N-(1-thiophen-3-ylethyl)propane-2-sulfonamide?
The InChIKey is HSBICWVZGZZNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S2/c1-7(2)14(11,12)10-8(3)9-4-5-13-6-9/h4-8,10H,1-3H3.
What are the key properties of N-(1-thiophen-3-ylethyl)propane-2-sulfonamide?
N-(1-thiophen-3-ylethyl)propane-2-sulfonamide has a molecular weight of 233.36 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-3-ylethyl)propane-2-sulfonamide is sourced from PubChem (CID 64586301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).