4-methylsulfanyl-N-propan-2-ylcyclohexane-1-carboxamide

C11H21NOS — CID 123498489

IUPAC4-methylsulfanyl-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCSC1CCC(C(=O)NC(C)C)CC1
InChIInChI=1S/C11H21NOS/c1-8(2)12-11(13)9-4-6-10(14-3)7-5-9/h8-10H,4-7H2,1-3H3,(H,12,13)
InChIKeyUACGBKWPBZZXQV-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.43
Rot. Bonds3

About 4-methylsulfanyl-N-propan-2-ylcyclohexane-1-carboxamide

4-methylsulfanyl-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 123498489) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 4-methylsulfanyl-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID123498489
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name4-methylsulfanyl-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCSC1CCC(C(=O)NC(C)C)CC1
InChIInChI=1S/C11H21NOS/c1-8(2)12-11(13)9-4-6-10(14-3)7-5-9/h8-10H,4-7H2,1-3H3,(H,12,13)
InChIKeyUACGBKWPBZZXQV-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-methylsulfanyl-N-propan-2-ylcyclohexane-1-carboxamide (CID 123498489) is 4-methylsulfanyl-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-methylsulfanyl-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-methylsulfanyl-N-propan-2-ylcyclohexane-1-carboxamide is CSC1CCC(C(=O)NC(C)C)CC1.
What is the InChIKey of 4-methylsulfanyl-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is UACGBKWPBZZXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-8(2)12-11(13)9-4-6-10(14-3)7-5-9/h8-10H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 4-methylsulfanyl-N-propan-2-ylcyclohexane-1-carboxamide?
4-methylsulfanyl-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 215.36 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 123498489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).