3-methylsulfanyl-N-propan-2-ylcyclohex-2-ene-1-carboxamide

C11H19NOS — CID 11031190

IUPAC3-methylsulfanyl-N-propan-2-ylcyclohex-2-ene-1-carboxamide
SMILESCSC1=CC(C(=O)NC(C)C)CCC1
InChIInChI=1S/C11H19NOS/c1-8(2)12-11(13)9-5-4-6-10(7-9)14-3/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKeySSBVKGYOQYPQRO-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.56
Rot. Bonds3

About 3-methylsulfanyl-N-propan-2-ylcyclohex-2-ene-1-carboxamide

3-methylsulfanyl-N-propan-2-ylcyclohex-2-ene-1-carboxamide (PubChem CID 11031190) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 3-methylsulfanyl-N-propan-2-ylcyclohex-2-ene-1-carboxamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-propan-2-ylcyclohex-2-ene-1-carboxamide
PubChem CID11031190
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name3-methylsulfanyl-N-propan-2-ylcyclohex-2-ene-1-carboxamide
SMILESCSC1=CC(C(=O)NC(C)C)CCC1
InChIInChI=1S/C11H19NOS/c1-8(2)12-11(13)9-5-4-6-10(7-9)14-3/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKeySSBVKGYOQYPQRO-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 175646580
(E)-N-(2-methylpropyl)-2-methylsulfanyldec-4-enamide
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7-[(1S)-1-amino-3-methylbutyl]-N-methyl-3,4-dihydro-2H-thiepine-7-carboxamide
CID 70235831
3-(2,5-dihydrothiophen-2-yl)-N-(2-ethylhexyl)propanamide
CID 122412828
6-methylsulfanyl-N-propan-2-ylcyclohexa-2,4-diene-1-carboxamide
CID 129145320
N-[(1R)-4-methyl-2-propan-2-ylsulfanyl-6-prop-2-enylcyclohex-3-en-1-yl]acetamide
CID 142059219
(6Z,8E)-N-(2-methylpropyl)-3-methylsulfanyldeca-6,8-dienamide
CID 143834867
N-cyclohex-3-en-1-ylcyclohex-2-ene-1-carboxamide
CID 147943691
N-cyclohexyl-2-methylhept-5-enamide
CID 153736071
(Z)-N,4-dimethyl-2-methylsulfanylhept-5-enamide
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N-butan-2-ylcyclohex-3-ene-1-carboxamide
CID 42930407

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-propan-2-ylcyclohex-2-ene-1-carboxamide?
The IUPAC name of 3-methylsulfanyl-N-propan-2-ylcyclohex-2-ene-1-carboxamide (CID 11031190) is 3-methylsulfanyl-N-propan-2-ylcyclohex-2-ene-1-carboxamide.
What is the SMILES notation for 3-methylsulfanyl-N-propan-2-ylcyclohex-2-ene-1-carboxamide?
The canonical SMILES for 3-methylsulfanyl-N-propan-2-ylcyclohex-2-ene-1-carboxamide is CSC1=CC(C(=O)NC(C)C)CCC1.
What is the InChIKey of 3-methylsulfanyl-N-propan-2-ylcyclohex-2-ene-1-carboxamide?
The InChIKey is SSBVKGYOQYPQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-8(2)12-11(13)9-5-4-6-10(7-9)14-3/h7-9H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 3-methylsulfanyl-N-propan-2-ylcyclohex-2-ene-1-carboxamide?
3-methylsulfanyl-N-propan-2-ylcyclohex-2-ene-1-carboxamide has a molecular weight of 213.35 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-propan-2-ylcyclohex-2-ene-1-carboxamide is sourced from PubChem (CID 11031190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).