N-(cyclohexa-1,5-dien-1-ylmethyl)propane-2-sulfonamide

C10H17NO2S — CID 167244698

IUPACN-(cyclohexa-1,5-dien-1-ylmethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1=CCCC=C1
InChIInChI=1S/C10H17NO2S/c1-9(2)14(12,13)11-8-10-6-4-3-5-7-10/h4,6-7,9,11H,3,5,8H2,1-2H3
InChIKeyRYSPBMOWHLAEHG-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.59
Rot. Bonds4

About N-(cyclohexa-1,5-dien-1-ylmethyl)propane-2-sulfonamide

N-(cyclohexa-1,5-dien-1-ylmethyl)propane-2-sulfonamide (PubChem CID 167244698) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is N-(cyclohexa-1,5-dien-1-ylmethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(cyclohexa-1,5-dien-1-ylmethyl)propane-2-sulfonamide
PubChem CID167244698
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC NameN-(cyclohexa-1,5-dien-1-ylmethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1=CCCC=C1
InChIInChI=1S/C10H17NO2S/c1-9(2)14(12,13)11-8-10-6-4-3-5-7-10/h4,6-7,9,11H,3,5,8H2,1-2H3
InChIKeyRYSPBMOWHLAEHG-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexa-1,5-dien-1-ylmethyl)propane-2-sulfonamide?
The IUPAC name of N-(cyclohexa-1,5-dien-1-ylmethyl)propane-2-sulfonamide (CID 167244698) is N-(cyclohexa-1,5-dien-1-ylmethyl)propane-2-sulfonamide.
What is the SMILES notation for N-(cyclohexa-1,5-dien-1-ylmethyl)propane-2-sulfonamide?
The canonical SMILES for N-(cyclohexa-1,5-dien-1-ylmethyl)propane-2-sulfonamide is CC(C)S(=O)(=O)NCC1=CCCC=C1.
What is the InChIKey of N-(cyclohexa-1,5-dien-1-ylmethyl)propane-2-sulfonamide?
The InChIKey is RYSPBMOWHLAEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-9(2)14(12,13)11-8-10-6-4-3-5-7-10/h4,6-7,9,11H,3,5,8H2,1-2H3.
What are the key properties of N-(cyclohexa-1,5-dien-1-ylmethyl)propane-2-sulfonamide?
N-(cyclohexa-1,5-dien-1-ylmethyl)propane-2-sulfonamide has a molecular weight of 215.32 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexa-1,5-dien-1-ylmethyl)propane-2-sulfonamide is sourced from PubChem (CID 167244698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).