N-propan-2-ylcyclopent-3-ene-1-sulfinamide

C8H15NOS — CID 59844512

IUPACN-propan-2-ylcyclopent-3-ene-1-sulfinamide
SMILESCC(C)NS(=O)C1CC=CC1
InChIInChI=1S/C8H15NOS/c1-7(2)9-11(10)8-5-3-4-6-8/h3-4,7-9H,5-6H2,1-2H3
InChIKeyOYZHLQUFCGEGFO-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.37
Rot. Bonds3

About N-propan-2-ylcyclopent-3-ene-1-sulfinamide

N-propan-2-ylcyclopent-3-ene-1-sulfinamide (PubChem CID 59844512) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is N-propan-2-ylcyclopent-3-ene-1-sulfinamide.

Molecular Properties

Compound NameN-propan-2-ylcyclopent-3-ene-1-sulfinamide
PubChem CID59844512
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC NameN-propan-2-ylcyclopent-3-ene-1-sulfinamide
SMILESCC(C)NS(=O)C1CC=CC1
InChIInChI=1S/C8H15NOS/c1-7(2)9-11(10)8-5-3-4-6-8/h3-4,7-9H,5-6H2,1-2H3
InChIKeyOYZHLQUFCGEGFO-UHFFFAOYSA-N
XLogP1.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylcyclopent-3-ene-1-sulfinamide?
The IUPAC name of N-propan-2-ylcyclopent-3-ene-1-sulfinamide (CID 59844512) is N-propan-2-ylcyclopent-3-ene-1-sulfinamide.
What is the SMILES notation for N-propan-2-ylcyclopent-3-ene-1-sulfinamide?
The canonical SMILES for N-propan-2-ylcyclopent-3-ene-1-sulfinamide is CC(C)NS(=O)C1CC=CC1.
What is the InChIKey of N-propan-2-ylcyclopent-3-ene-1-sulfinamide?
The InChIKey is OYZHLQUFCGEGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-7(2)9-11(10)8-5-3-4-6-8/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of N-propan-2-ylcyclopent-3-ene-1-sulfinamide?
N-propan-2-ylcyclopent-3-ene-1-sulfinamide has a molecular weight of 173.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylcyclopent-3-ene-1-sulfinamide is sourced from PubChem (CID 59844512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).