N-(1-methylcyclopentyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C12H21NOS — CID 107023882

IUPACN-(1-methylcyclopentyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCC1(NC(=O)CC2(CS)CC2)CCCC1
InChIInChI=1S/C12H21NOS/c1-11(4-2-3-5-11)13-10(14)8-12(9-15)6-7-12/h15H,2-9H2,1H3,(H,13,14)
InChIKeyQJEWQSLZZBNKFI-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.54
Rot. Bonds4

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

N-(1-methylcyclopentyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107023882) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is N-(1-methylcyclopentyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(1-methylcyclopentyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107023882
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC NameN-(1-methylcyclopentyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCC1(NC(=O)CC2(CS)CC2)CCCC1
InChIInChI=1S/C12H21NOS/c1-11(4-2-3-5-11)13-10(14)8-12(9-15)6-7-12/h15H,2-9H2,1H3,(H,13,14)
InChIKeyQJEWQSLZZBNKFI-UHFFFAOYSA-N
XLogP2.54
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.54
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-(1-methylcyclopentyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-(1-methylcyclopentyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107023882) is N-(1-methylcyclopentyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-(1-methylcyclopentyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-(1-methylcyclopentyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is CC1(NC(=O)CC2(CS)CC2)CCCC1.
What is the InChIKey of N-(1-methylcyclopentyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is QJEWQSLZZBNKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-11(4-2-3-5-11)13-10(14)8-12(9-15)6-7-12/h15H,2-9H2,1H3,(H,13,14).
What are the key properties of N-(1-methylcyclopentyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-(1-methylcyclopentyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 227.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopentyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107023882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).