cyclohexa-1,5-dien-1-ylmethanesulfinamide

C7H11NOS — CID 153339211

IUPACcyclohexa-1,5-dien-1-ylmethanesulfinamide
SMILESNS(=O)CC1=CCCC=C1
InChIInChI=1S/C7H11NOS/c8-10(9)6-7-4-2-1-3-5-7/h2,4-5H,1,3,6,8H2
InChIKeyCMHLTCJVYPOJBM-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.89
Rot. Bonds2

About cyclohexa-1,5-dien-1-ylmethanesulfinamide

cyclohexa-1,5-dien-1-ylmethanesulfinamide (PubChem CID 153339211) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-ylmethanesulfinamide.

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-ylmethanesulfinamide
PubChem CID153339211
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Namecyclohexa-1,5-dien-1-ylmethanesulfinamide
SMILESNS(=O)CC1=CCCC=C1
InChIInChI=1S/C7H11NOS/c8-10(9)6-7-4-2-1-3-5-7/h2,4-5H,1,3,6,8H2
InChIKeyCMHLTCJVYPOJBM-UHFFFAOYSA-N
XLogP0.89
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-dien-1-ylmethanesulfinamide?
The IUPAC name of cyclohexa-1,5-dien-1-ylmethanesulfinamide (CID 153339211) is cyclohexa-1,5-dien-1-ylmethanesulfinamide.
What is the SMILES notation for cyclohexa-1,5-dien-1-ylmethanesulfinamide?
The canonical SMILES for cyclohexa-1,5-dien-1-ylmethanesulfinamide is NS(=O)CC1=CCCC=C1.
What is the InChIKey of cyclohexa-1,5-dien-1-ylmethanesulfinamide?
The InChIKey is CMHLTCJVYPOJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c8-10(9)6-7-4-2-1-3-5-7/h2,4-5H,1,3,6,8H2.
What are the key properties of cyclohexa-1,5-dien-1-ylmethanesulfinamide?
cyclohexa-1,5-dien-1-ylmethanesulfinamide has a molecular weight of 157.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-dien-1-ylmethanesulfinamide is sourced from PubChem (CID 153339211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).