N-(1-amino-1-sulfanylidenepentan-2-yl)-2-propylpentanamide

C13H26N2OS — CID 82983954

IUPACN-(1-amino-1-sulfanylidenepentan-2-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NC(CCC)C(N)=S
InChIInChI=1S/C13H26N2OS/c1-4-7-10(8-5-2)13(16)15-11(9-6-3)12(14)17/h10-11H,4-9H2,1-3H3,(H2,14,17)(H,15,16)
InChIKeyVJDREVVFQOOZGE-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.77
Rot. Bonds9

About N-(1-amino-1-sulfanylidenepentan-2-yl)-2-propylpentanamide

N-(1-amino-1-sulfanylidenepentan-2-yl)-2-propylpentanamide (PubChem CID 82983954) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepentan-2-yl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepentan-2-yl)-2-propylpentanamide
PubChem CID82983954
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC NameN-(1-amino-1-sulfanylidenepentan-2-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NC(CCC)C(N)=S
InChIInChI=1S/C13H26N2OS/c1-4-7-10(8-5-2)13(16)15-11(9-6-3)12(14)17/h10-11H,4-9H2,1-3H3,(H2,14,17)(H,15,16)
InChIKeyVJDREVVFQOOZGE-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-2-propylpentanamide
CID 82985436
N-(1-amino-1-sulfanylidenepentan-2-yl)-2,2-dimethylpropanamide
CID 61121494
N-(1-amino-1-sulfanylidenepentan-2-yl)-4-methylpentanamide
CID 61120703
3-(1-amino-1-sulfanylidenepentan-2-yl)-1-ethyl-1-methylurea
CID 79160138
N-(1-amino-1-sulfanylidenepentan-2-yl)-2-phenylbutanamide
CID 61120695
2-(2-propylpentanoylamino)butanedioic acid
CID 82985290
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-propylpentanamide
CID 82984600
(2S)-4-hydroxy-2-(2-propylpentanoylamino)butanoic acid
CID 107822514
diethyl 2-(2-propylpentanoylamino)propanedioate
CID 82989756
2-(2-ethylbutanoylamino)pentanoic acid
CID 43630315
N-(1-amino-1-sulfanylidenepentan-2-yl)-2-methylthiolane-2-carboxamide
CID 81452680
N-butan-2-yl-2-propylpentanamide
CID 115532227

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenepentan-2-yl)-2-propylpentanamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepentan-2-yl)-2-propylpentanamide (CID 82983954) is N-(1-amino-1-sulfanylidenepentan-2-yl)-2-propylpentanamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepentan-2-yl)-2-propylpentanamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepentan-2-yl)-2-propylpentanamide is CCCC(CCC)C(=O)NC(CCC)C(N)=S.
What is the InChIKey of N-(1-amino-1-sulfanylidenepentan-2-yl)-2-propylpentanamide?
The InChIKey is VJDREVVFQOOZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-4-7-10(8-5-2)13(16)15-11(9-6-3)12(14)17/h10-11H,4-9H2,1-3H3,(H2,14,17)(H,15,16).
What are the key properties of N-(1-amino-1-sulfanylidenepentan-2-yl)-2-propylpentanamide?
N-(1-amino-1-sulfanylidenepentan-2-yl)-2-propylpentanamide has a molecular weight of 258.43 g/mol, XLogP of 2.77, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenepentan-2-yl)-2-propylpentanamide is sourced from PubChem (CID 82983954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).