N-(2-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)methanesulfonamide

C9H15NO3S — CID 173292448

IUPACN-(2-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)methanesulfonamide
SMILESCS(=O)(=O)NCC(O)C1=CCCC=C1
InChIInChI=1S/C9H15NO3S/c1-14(12,13)10-7-9(11)8-5-3-2-4-6-8/h3,5-6,9-11H,2,4,7H2,1H3
InChIKeyWSYVFZHSMHNQPK-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.17
Rot. Bonds4

About N-(2-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)methanesulfonamide

N-(2-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)methanesulfonamide (PubChem CID 173292448) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-(2-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)methanesulfonamide
PubChem CID173292448
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC NameN-(2-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)methanesulfonamide
SMILESCS(=O)(=O)NCC(O)C1=CCCC=C1
InChIInChI=1S/C9H15NO3S/c1-14(12,13)10-7-9(11)8-5-3-2-4-6-8/h3,5-6,9-11H,2,4,7H2,1H3
InChIKeyWSYVFZHSMHNQPK-UHFFFAOYSA-N
XLogP0.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)methanesulfonamide?
The IUPAC name of N-(2-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)methanesulfonamide (CID 173292448) is N-(2-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)methanesulfonamide.
What is the SMILES notation for N-(2-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)methanesulfonamide?
The canonical SMILES for N-(2-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)methanesulfonamide is CS(=O)(=O)NCC(O)C1=CCCC=C1.
What is the InChIKey of N-(2-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)methanesulfonamide?
The InChIKey is WSYVFZHSMHNQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-14(12,13)10-7-9(11)8-5-3-2-4-6-8/h3,5-6,9-11H,2,4,7H2,1H3.
What are the key properties of N-(2-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)methanesulfonamide?
N-(2-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)methanesulfonamide has a molecular weight of 217.29 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)methanesulfonamide is sourced from PubChem (CID 173292448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).