N-cyclohex-2-en-1-ylmethanesulfinamide;ethane

C9H19NOS — CID 167493879

IUPACN-cyclohex-2-en-1-ylmethanesulfinamide;ethane
SMILESCC.CS(=O)NC1C=CCCC1
InChIInChI=1S/C7H13NOS.C2H6/c1-10(9)8-7-5-3-2-4-6-7;1-2/h3,5,7-8H,2,4,6H2,1H3;1-2H3
InChIKeyHWYSEVZWZKWZKA-UHFFFAOYSA-N
MW189.32 g/mol
LogP2.00
Rot. Bonds2

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

N-cyclohex-2-en-1-ylmethanesulfinamide;ethane (PubChem CID 167493879) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is N-cyclohex-2-en-1-ylmethanesulfinamide;ethane.

Molecular Properties

Compound NameN-cyclohex-2-en-1-ylmethanesulfinamide;ethane
PubChem CID167493879
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC NameN-cyclohex-2-en-1-ylmethanesulfinamide;ethane
SMILESCC.CS(=O)NC1C=CCCC1
InChIInChI=1S/C7H13NOS.C2H6/c1-10(9)8-7-5-3-2-4-6-7;1-2/h3,5,7-8H,2,4,6H2,1H3;1-2H3
InChIKeyHWYSEVZWZKWZKA-UHFFFAOYSA-N
XLogP2.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(Cyclohex-2-en-1-yl)methanesulfonamide
CID 71379088
(R)-2-methyl-N-[(E,4S)-non-5-en-4-yl]propane-2-sulfinamide
CID 134964096
N-cyclohex-3-en-1-ylmethanesulfonamide
CID 59986923
2-methyl-N-(4-methylcyclohex-2-en-1-yl)propane-2-sulfinamide
CID 70892547
N-cyclohex-2-en-1-ylpropane-2-sulfonamide
CID 131158057
N-[(4Z)-cyclotridec-4-en-1-yl]methanesulfonamide
CID 131977124
N-cyclohex-2-en-1-ylmethanesulfonamide;N,N-dimethylmethanesulfinamide;ethane
CID 167494004
N-cyclohex-2-en-1-ylmethanesulfonamide;ethane
CID 172287631
N-cyclohex-2-en-1-ylmethanesulfinamide
CID 167493880

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-ylmethanesulfinamide;ethane?
The IUPAC name of N-cyclohex-2-en-1-ylmethanesulfinamide;ethane (CID 167493879) is N-cyclohex-2-en-1-ylmethanesulfinamide;ethane.
What is the SMILES notation for N-cyclohex-2-en-1-ylmethanesulfinamide;ethane?
The canonical SMILES for N-cyclohex-2-en-1-ylmethanesulfinamide;ethane is CC.CS(=O)NC1C=CCCC1.
What is the InChIKey of N-cyclohex-2-en-1-ylmethanesulfinamide;ethane?
The InChIKey is HWYSEVZWZKWZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS.C2H6/c1-10(9)8-7-5-3-2-4-6-7;1-2/h3,5,7-8H,2,4,6H2,1H3;1-2H3.
What are the key properties of N-cyclohex-2-en-1-ylmethanesulfinamide;ethane?
N-cyclohex-2-en-1-ylmethanesulfinamide;ethane has a molecular weight of 189.32 g/mol, XLogP of 2.00, 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;ethane is sourced from PubChem (CID 167493879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).