N-cyclohexyl-4-methylcyclohepta-1,3-diene-1-sulfinamide

C14H23NOS — CID 78027194

IUPACN-cyclohexyl-4-methylcyclohepta-1,3-diene-1-sulfinamide
SMILESCC1=CC=C(S(=O)NC2CCCCC2)CCC1
InChIInChI=1S/C14H23NOS/c1-12-6-5-9-14(11-10-12)17(16)15-13-7-3-2-4-8-13/h10-11,13,15H,2-9H2,1H3
InChIKeyUEHUTJDICNFQDT-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.59
Rot. Bonds3

About N-cyclohexyl-4-methylcyclohepta-1,3-diene-1-sulfinamide

N-cyclohexyl-4-methylcyclohepta-1,3-diene-1-sulfinamide (PubChem CID 78027194) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is N-cyclohexyl-4-methylcyclohepta-1,3-diene-1-sulfinamide.

Molecular Properties

Compound NameN-cyclohexyl-4-methylcyclohepta-1,3-diene-1-sulfinamide
PubChem CID78027194
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC NameN-cyclohexyl-4-methylcyclohepta-1,3-diene-1-sulfinamide
SMILESCC1=CC=C(S(=O)NC2CCCCC2)CCC1
InChIInChI=1S/C14H23NOS/c1-12-6-5-9-14(11-10-12)17(16)15-13-7-3-2-4-8-13/h10-11,13,15H,2-9H2,1H3
InChIKeyUEHUTJDICNFQDT-UHFFFAOYSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methylcyclohepta-1,3-diene-1-sulfinamide?
The IUPAC name of N-cyclohexyl-4-methylcyclohepta-1,3-diene-1-sulfinamide (CID 78027194) is N-cyclohexyl-4-methylcyclohepta-1,3-diene-1-sulfinamide.
What is the SMILES notation for N-cyclohexyl-4-methylcyclohepta-1,3-diene-1-sulfinamide?
The canonical SMILES for N-cyclohexyl-4-methylcyclohepta-1,3-diene-1-sulfinamide is CC1=CC=C(S(=O)NC2CCCCC2)CCC1.
What is the InChIKey of N-cyclohexyl-4-methylcyclohepta-1,3-diene-1-sulfinamide?
The InChIKey is UEHUTJDICNFQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-12-6-5-9-14(11-10-12)17(16)15-13-7-3-2-4-8-13/h10-11,13,15H,2-9H2,1H3.
What are the key properties of N-cyclohexyl-4-methylcyclohepta-1,3-diene-1-sulfinamide?
N-cyclohexyl-4-methylcyclohepta-1,3-diene-1-sulfinamide has a molecular weight of 253.41 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methylcyclohepta-1,3-diene-1-sulfinamide is sourced from PubChem (CID 78027194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).