6-methylsulfanyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine

C10H15NS — CID 144625342

IUPAC6-methylsulfanyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine
SMILESC=C(C)NC1=CCCC=C1SC
InChIInChI=1S/C10H15NS/c1-8(2)11-9-6-4-5-7-10(9)12-3/h6-7,11H,1,4-5H2,2-3H3
InChIKeyZWSUWHXUUIBLGK-UHFFFAOYSA-N
MW181.30 g/mol
LogP3.03
Rot. Bonds3

About 6-methylsulfanyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine

6-methylsulfanyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine (PubChem CID 144625342) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 6-methylsulfanyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name6-methylsulfanyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine
PubChem CID144625342
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name6-methylsulfanyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine
SMILESC=C(C)NC1=CCCC=C1SC
InChIInChI=1S/C10H15NS/c1-8(2)11-9-6-4-5-7-10(9)12-3/h6-7,11H,1,4-5H2,2-3H3
InChIKeyZWSUWHXUUIBLGK-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 6-methylsulfanyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine (CID 144625342) is 6-methylsulfanyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 6-methylsulfanyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 6-methylsulfanyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine is C=C(C)NC1=CCCC=C1SC.
What is the InChIKey of 6-methylsulfanyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine?
The InChIKey is ZWSUWHXUUIBLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-8(2)11-9-6-4-5-7-10(9)12-3/h6-7,11H,1,4-5H2,2-3H3.
What are the key properties of 6-methylsulfanyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine?
6-methylsulfanyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine has a molecular weight of 181.30 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 144625342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).