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

C14H25NOS — CID 107025065

IUPACN-(4-ethylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCCC1CCC(NC(=O)CC2(CS)CC2)CC1
InChIInChI=1S/C14H25NOS/c1-2-11-3-5-12(6-4-11)15-13(16)9-14(10-17)7-8-14/h11-12,17H,2-10H2,1H3,(H,15,16)
InChIKeyFSLVWGXSFPLTNN-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.17
Rot. Bonds5

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

N-(4-ethylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107025065) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107025065
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC NameN-(4-ethylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCCC1CCC(NC(=O)CC2(CS)CC2)CC1
InChIInChI=1S/C14H25NOS/c1-2-11-3-5-12(6-4-11)15-13(16)9-14(10-17)7-8-14/h11-12,17H,2-10H2,1H3,(H,15,16)
InChIKeyFSLVWGXSFPLTNN-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.17
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-ethylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-(4-ethylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107025065) is N-(4-ethylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-(4-ethylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is CCC1CCC(NC(=O)CC2(CS)CC2)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is FSLVWGXSFPLTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c1-2-11-3-5-12(6-4-11)15-13(16)9-14(10-17)7-8-14/h11-12,17H,2-10H2,1H3,(H,15,16).
What are the key properties of N-(4-ethylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-(4-ethylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 255.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107025065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).