N-(4-methylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C13H23NOS — CID 107021547

IUPACN-(4-methylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCC1CCC(NC(=O)CC2(CS)CC2)CC1
InChIInChI=1S/C13H23NOS/c1-10-2-4-11(5-3-10)14-12(15)8-13(9-16)6-7-13/h10-11,16H,2-9H2,1H3,(H,14,15)
InChIKeyKSZFJKLNCNUNBB-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.78
Rot. Bonds4

About N-(4-methylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-(4-methylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107021547) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107021547
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC NameN-(4-methylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCC1CCC(NC(=O)CC2(CS)CC2)CC1
InChIInChI=1S/C13H23NOS/c1-10-2-4-11(5-3-10)14-12(15)8-13(9-16)6-7-13/h10-11,16H,2-9H2,1H3,(H,14,15)
InChIKeyKSZFJKLNCNUNBB-UHFFFAOYSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107021547) is N-(4-methylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is CC1CCC(NC(=O)CC2(CS)CC2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is KSZFJKLNCNUNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-10-2-4-11(5-3-10)14-12(15)8-13(9-16)6-7-13/h10-11,16H,2-9H2,1H3,(H,14,15).
What are the key properties of N-(4-methylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-(4-methylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 241.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107021547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).