N-cyclohexylbenzenesulfinamide

C12H17NOS — CID 4681762

IUPACN-cyclohexylbenzenesulfinamide
SMILESO=S(NC1CCCCC1)c1ccccc1
InChIInChI=1S/C12H17NOS/c14-15(12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h2,5-6,9-11,13H,1,3-4,7-8H2
InChIKeyZTOMSORUDLSEGQ-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.63
Rot. Bonds3

About N-cyclohexylbenzenesulfinamide

N-cyclohexylbenzenesulfinamide (PubChem CID 4681762) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-cyclohexylbenzenesulfinamide.

Molecular Properties

Compound NameN-cyclohexylbenzenesulfinamide
PubChem CID4681762
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-cyclohexylbenzenesulfinamide
SMILESO=S(NC1CCCCC1)c1ccccc1
InChIInChI=1S/C12H17NOS/c14-15(12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h2,5-6,9-11,13H,1,3-4,7-8H2
InChIKeyZTOMSORUDLSEGQ-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexylbenzenesulfinamide?
The IUPAC name of N-cyclohexylbenzenesulfinamide (CID 4681762) is N-cyclohexylbenzenesulfinamide.
What is the SMILES notation for N-cyclohexylbenzenesulfinamide?
The canonical SMILES for N-cyclohexylbenzenesulfinamide is O=S(NC1CCCCC1)c1ccccc1.
What is the InChIKey of N-cyclohexylbenzenesulfinamide?
The InChIKey is ZTOMSORUDLSEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c14-15(12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h2,5-6,9-11,13H,1,3-4,7-8H2.
What are the key properties of N-cyclohexylbenzenesulfinamide?
N-cyclohexylbenzenesulfinamide has a molecular weight of 223.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylbenzenesulfinamide is sourced from PubChem (CID 4681762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).