N-(4-methylcyclohexa-2,4-dien-1-yl)propane-2-sulfinamide

C10H17NOS — CID 89154013

IUPACN-(4-methylcyclohexa-2,4-dien-1-yl)propane-2-sulfinamide
SMILESCC1=CCC(NS(=O)C(C)C)C=C1
InChIInChI=1S/C10H17NOS/c1-8(2)13(12)11-10-6-4-9(3)5-7-10/h4-6,8,10-11H,7H2,1-3H3
InChIKeyLHNKWTJXGHIGKQ-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.92
Rot. Bonds3

About N-(4-methylcyclohexa-2,4-dien-1-yl)propane-2-sulfinamide

N-(4-methylcyclohexa-2,4-dien-1-yl)propane-2-sulfinamide (PubChem CID 89154013) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is N-(4-methylcyclohexa-2,4-dien-1-yl)propane-2-sulfinamide.

Molecular Properties

Compound NameN-(4-methylcyclohexa-2,4-dien-1-yl)propane-2-sulfinamide
PubChem CID89154013
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC NameN-(4-methylcyclohexa-2,4-dien-1-yl)propane-2-sulfinamide
SMILESCC1=CCC(NS(=O)C(C)C)C=C1
InChIInChI=1S/C10H17NOS/c1-8(2)13(12)11-10-6-4-9(3)5-7-10/h4-6,8,10-11H,7H2,1-3H3
InChIKeyLHNKWTJXGHIGKQ-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexa-2,4-dien-1-yl)propane-2-sulfinamide?
The IUPAC name of N-(4-methylcyclohexa-2,4-dien-1-yl)propane-2-sulfinamide (CID 89154013) is N-(4-methylcyclohexa-2,4-dien-1-yl)propane-2-sulfinamide.
What is the SMILES notation for N-(4-methylcyclohexa-2,4-dien-1-yl)propane-2-sulfinamide?
The canonical SMILES for N-(4-methylcyclohexa-2,4-dien-1-yl)propane-2-sulfinamide is CC1=CCC(NS(=O)C(C)C)C=C1.
What is the InChIKey of N-(4-methylcyclohexa-2,4-dien-1-yl)propane-2-sulfinamide?
The InChIKey is LHNKWTJXGHIGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-8(2)13(12)11-10-6-4-9(3)5-7-10/h4-6,8,10-11H,7H2,1-3H3.
What are the key properties of N-(4-methylcyclohexa-2,4-dien-1-yl)propane-2-sulfinamide?
N-(4-methylcyclohexa-2,4-dien-1-yl)propane-2-sulfinamide has a molecular weight of 199.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexa-2,4-dien-1-yl)propane-2-sulfinamide is sourced from PubChem (CID 89154013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).