N-cyclohex-2-en-1-ylmethanesulfinamide

C7H13NOS — CID 167493880

IUPACN-cyclohex-2-en-1-ylmethanesulfinamide
SMILESCS(=O)NC1C=CCCC1
InChIInChI=1S/C7H13NOS/c1-10(9)8-7-5-3-2-4-6-7/h3,5,7-8H,2,4,6H2,1H3
InChIKeyMJCJYHIPYFKECT-UHFFFAOYSA-N
MW159.25 g/mol
LogP0.98
Rot. Bonds2

About N-cyclohex-2-en-1-ylmethanesulfinamide

N-cyclohex-2-en-1-ylmethanesulfinamide (PubChem CID 167493880) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is N-cyclohex-2-en-1-ylmethanesulfinamide.

Molecular Properties

Compound NameN-cyclohex-2-en-1-ylmethanesulfinamide
PubChem CID167493880
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC NameN-cyclohex-2-en-1-ylmethanesulfinamide
SMILESCS(=O)NC1C=CCCC1
InChIInChI=1S/C7H13NOS/c1-10(9)8-7-5-3-2-4-6-7/h3,5,7-8H,2,4,6H2,1H3
InChIKeyMJCJYHIPYFKECT-UHFFFAOYSA-N
XLogP0.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 50.98
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-cyclohex-2-en-1-ylmethanesulfinamide?
The IUPAC name of N-cyclohex-2-en-1-ylmethanesulfinamide (CID 167493880) is N-cyclohex-2-en-1-ylmethanesulfinamide.
What is the SMILES notation for N-cyclohex-2-en-1-ylmethanesulfinamide?
The canonical SMILES for N-cyclohex-2-en-1-ylmethanesulfinamide is CS(=O)NC1C=CCCC1.
What is the InChIKey of N-cyclohex-2-en-1-ylmethanesulfinamide?
The InChIKey is MJCJYHIPYFKECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-10(9)8-7-5-3-2-4-6-7/h3,5,7-8H,2,4,6H2,1H3.
What are the key properties of N-cyclohex-2-en-1-ylmethanesulfinamide?
N-cyclohex-2-en-1-ylmethanesulfinamide has a molecular weight of 159.25 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-ylmethanesulfinamide is sourced from PubChem (CID 167493880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).