N-[(1R)-4-methyl-2-propan-2-ylsulfanyl-6-prop-2-enylcyclohex-3-en-1-yl]acetamide

C15H25NOS — CID 142059219

IUPACN-[(1R)-4-methyl-2-propan-2-ylsulfanyl-6-prop-2-enylcyclohex-3-en-1-yl]acetamide
SMILESC=CCC1CC(C)=CC(SC(C)C)[C@@H]1NC(C)=O
InChIInChI=1S/C15H25NOS/c1-6-7-13-8-11(4)9-14(18-10(2)3)15(13)16-12(5)17/h6,9-10,13-15H,1,7-8H2,2-5H3,(H,16,17)/t13?,14?,15-/m1/s1
InChIKeyZCLXUDYUYTYALA-YMAMQOFZSA-N
MW267.44 g/mol
LogP3.54
Rot. Bonds5

About N-[(1R)-4-methyl-2-propan-2-ylsulfanyl-6-prop-2-enylcyclohex-3-en-1-yl]acetamide

N-[(1R)-4-methyl-2-propan-2-ylsulfanyl-6-prop-2-enylcyclohex-3-en-1-yl]acetamide (PubChem CID 142059219) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[(1R)-4-methyl-2-propan-2-ylsulfanyl-6-prop-2-enylcyclohex-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-4-methyl-2-propan-2-ylsulfanyl-6-prop-2-enylcyclohex-3-en-1-yl]acetamide
PubChem CID142059219
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-[(1R)-4-methyl-2-propan-2-ylsulfanyl-6-prop-2-enylcyclohex-3-en-1-yl]acetamide
SMILESC=CCC1CC(C)=CC(SC(C)C)[C@@H]1NC(C)=O
InChIInChI=1S/C15H25NOS/c1-6-7-13-8-11(4)9-14(18-10(2)3)15(13)16-12(5)17/h6,9-10,13-15H,1,7-8H2,2-5H3,(H,16,17)/t13?,14?,15-/m1/s1
InChIKeyZCLXUDYUYTYALA-YMAMQOFZSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-4-methyl-2-propan-2-ylsulfanyl-6-prop-2-enylcyclohex-3-en-1-yl]acetamide?
The IUPAC name of N-[(1R)-4-methyl-2-propan-2-ylsulfanyl-6-prop-2-enylcyclohex-3-en-1-yl]acetamide (CID 142059219) is N-[(1R)-4-methyl-2-propan-2-ylsulfanyl-6-prop-2-enylcyclohex-3-en-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-4-methyl-2-propan-2-ylsulfanyl-6-prop-2-enylcyclohex-3-en-1-yl]acetamide?
The canonical SMILES for N-[(1R)-4-methyl-2-propan-2-ylsulfanyl-6-prop-2-enylcyclohex-3-en-1-yl]acetamide is C=CCC1CC(C)=CC(SC(C)C)[C@@H]1NC(C)=O.
What is the InChIKey of N-[(1R)-4-methyl-2-propan-2-ylsulfanyl-6-prop-2-enylcyclohex-3-en-1-yl]acetamide?
The InChIKey is ZCLXUDYUYTYALA-YMAMQOFZSA-N. The full InChI is InChI=1S/C15H25NOS/c1-6-7-13-8-11(4)9-14(18-10(2)3)15(13)16-12(5)17/h6,9-10,13-15H,1,7-8H2,2-5H3,(H,16,17)/t13?,14?,15-/m1/s1.
What are the key properties of N-[(1R)-4-methyl-2-propan-2-ylsulfanyl-6-prop-2-enylcyclohex-3-en-1-yl]acetamide?
N-[(1R)-4-methyl-2-propan-2-ylsulfanyl-6-prop-2-enylcyclohex-3-en-1-yl]acetamide has a molecular weight of 267.44 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-4-methyl-2-propan-2-ylsulfanyl-6-prop-2-enylcyclohex-3-en-1-yl]acetamide is sourced from PubChem (CID 142059219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).