N-cyclohexyl-1-methylthiopyran-2-sulfonamide

C12H19NO2S2 — CID 143180340

IUPACN-cyclohexyl-1-methylthiopyran-2-sulfonamide
SMILESCS1=C(S(=O)(=O)NC2CCCCC2)C=CC=C1
InChIInChI=1S/C12H19NO2S2/c1-16-10-6-5-9-12(16)17(14,15)13-11-7-3-2-4-8-11/h5-6,9-11,13H,2-4,7-8H2,1H3
InChIKeyWSSRWGVUAPTHRQ-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.35
Rot. Bonds2

About N-cyclohexyl-1-methylthiopyran-2-sulfonamide

N-cyclohexyl-1-methylthiopyran-2-sulfonamide (PubChem CID 143180340) has the molecular formula C12H19NO2S2 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-cyclohexyl-1-methylthiopyran-2-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-1-methylthiopyran-2-sulfonamide
PubChem CID143180340
Molecular FormulaC12H19NO2S2
Molecular Weight273.42 g/mol
Exact Mass273.09
IUPAC NameN-cyclohexyl-1-methylthiopyran-2-sulfonamide
SMILESCS1=C(S(=O)(=O)NC2CCCCC2)C=CC=C1
InChIInChI=1S/C12H19NO2S2/c1-16-10-6-5-9-12(16)17(14,15)13-11-7-3-2-4-8-11/h5-6,9-11,13H,2-4,7-8H2,1H3
InChIKeyWSSRWGVUAPTHRQ-UHFFFAOYSA-N
XLogP2.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-methylthiopyran-2-sulfonamide?
The IUPAC name of N-cyclohexyl-1-methylthiopyran-2-sulfonamide (CID 143180340) is N-cyclohexyl-1-methylthiopyran-2-sulfonamide.
What is the SMILES notation for N-cyclohexyl-1-methylthiopyran-2-sulfonamide?
The canonical SMILES for N-cyclohexyl-1-methylthiopyran-2-sulfonamide is CS1=C(S(=O)(=O)NC2CCCCC2)C=CC=C1.
What is the InChIKey of N-cyclohexyl-1-methylthiopyran-2-sulfonamide?
The InChIKey is WSSRWGVUAPTHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S2/c1-16-10-6-5-9-12(16)17(14,15)13-11-7-3-2-4-8-11/h5-6,9-11,13H,2-4,7-8H2,1H3.
What are the key properties of N-cyclohexyl-1-methylthiopyran-2-sulfonamide?
N-cyclohexyl-1-methylthiopyran-2-sulfonamide has a molecular weight of 273.42 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-methylthiopyran-2-sulfonamide is sourced from PubChem (CID 143180340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).