N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-cyclopentyl-N-methylpropanamide

C13H24N2OS — CID 54992064

IUPACN-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-cyclopentyl-N-methylpropanamide
SMILESCC(CN(C)C(=O)CCC1CCCC1)C(N)=S
InChIInChI=1S/C13H24N2OS/c1-10(13(14)17)9-15(2)12(16)8-7-11-5-3-4-6-11/h10-11H,3-9H2,1-2H3,(H2,14,17)
InChIKeyZKRHYZPKWOWVGM-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.34
Rot. Bonds6

About N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-cyclopentyl-N-methylpropanamide

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-cyclopentyl-N-methylpropanamide (PubChem CID 54992064) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-cyclopentyl-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-cyclopentyl-N-methylpropanamide
PubChem CID54992064
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-cyclopentyl-N-methylpropanamide
SMILESCC(CN(C)C(=O)CCC1CCCC1)C(N)=S
InChIInChI=1S/C13H24N2OS/c1-10(13(14)17)9-15(2)12(16)8-7-11-5-3-4-6-11/h10-11H,3-9H2,1-2H3,(H2,14,17)
InChIKeyZKRHYZPKWOWVGM-UHFFFAOYSA-N
XLogP2.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-cyclopentyl-N-methylpropanamide?
The IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-cyclopentyl-N-methylpropanamide (CID 54992064) is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-cyclopentyl-N-methylpropanamide.
What is the SMILES notation for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-cyclopentyl-N-methylpropanamide?
The canonical SMILES for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-cyclopentyl-N-methylpropanamide is CC(CN(C)C(=O)CCC1CCCC1)C(N)=S.
What is the InChIKey of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-cyclopentyl-N-methylpropanamide?
The InChIKey is ZKRHYZPKWOWVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-10(13(14)17)9-15(2)12(16)8-7-11-5-3-4-6-11/h10-11H,3-9H2,1-2H3,(H2,14,17).
What are the key properties of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-cyclopentyl-N-methylpropanamide?
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-cyclopentyl-N-methylpropanamide has a molecular weight of 256.41 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-cyclopentyl-N-methylpropanamide is sourced from PubChem (CID 54992064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).