N-methyl-N-pentan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C12H23NOS — CID 107023188

IUPACN-methyl-N-pentan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCCCC(C)N(C)C(=O)CC1(CS)CC1
InChIInChI=1S/C12H23NOS/c1-4-5-10(2)13(3)11(14)8-12(9-15)6-7-12/h10,15H,4-9H2,1-3H3
InChIKeyBXOISMHRNVEASV-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.73
Rot. Bonds6

About N-methyl-N-pentan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-methyl-N-pentan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107023188) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is N-methyl-N-pentan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-pentan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107023188
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC NameN-methyl-N-pentan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCCCC(C)N(C)C(=O)CC1(CS)CC1
InChIInChI=1S/C12H23NOS/c1-4-5-10(2)13(3)11(14)8-12(9-15)6-7-12/h10,15H,4-9H2,1-3H3
InChIKeyBXOISMHRNVEASV-UHFFFAOYSA-N
XLogP2.73
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
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-methyl-N-pentan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-methyl-N-pentan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107023188) is N-methyl-N-pentan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-methyl-N-pentan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-methyl-N-pentan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is CCCC(C)N(C)C(=O)CC1(CS)CC1.
What is the InChIKey of N-methyl-N-pentan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is BXOISMHRNVEASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-4-5-10(2)13(3)11(14)8-12(9-15)6-7-12/h10,15H,4-9H2,1-3H3.
What are the key properties of N-methyl-N-pentan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-methyl-N-pentan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 229.39 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pentan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107023188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).