N-(2-amino-2-sulfanylideneethyl)-N,2-dipropylpentanamide

C13H26N2OS — CID 82985340

IUPACN-(2-amino-2-sulfanylideneethyl)-N,2-dipropylpentanamide
SMILESCCCC(CCC)C(=O)N(CCC)CC(N)=S
InChIInChI=1S/C13H26N2OS/c1-4-7-11(8-5-2)13(16)15(9-6-3)10-12(14)17/h11H,4-10H2,1-3H3,(H2,14,17)
InChIKeyVCEIFVVBLFKYLI-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.73
Rot. Bonds9

About N-(2-amino-2-sulfanylideneethyl)-N,2-dipropylpentanamide

N-(2-amino-2-sulfanylideneethyl)-N,2-dipropylpentanamide (PubChem CID 82985340) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N,2-dipropylpentanamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N,2-dipropylpentanamide
PubChem CID82985340
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N,2-dipropylpentanamide
SMILESCCCC(CCC)C(=O)N(CCC)CC(N)=S
InChIInChI=1S/C13H26N2OS/c1-4-7-11(8-5-2)13(16)15(9-6-3)10-12(14)17/h11H,4-10H2,1-3H3,(H2,14,17)
InChIKeyVCEIFVVBLFKYLI-UHFFFAOYSA-N
XLogP2.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-sulfanylideneethyl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide
CID 103309906
1-(2-amino-2-sulfanylideneethyl)-3,3-dimethyl-1-propylurea
CID 79154517
methyl 2-[2-(aminomethyl)pentanoyl-propylamino]acetate
CID 65227489
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-propylpentanamide
CID 82984934
N-(3-aminopropyl)-N-ethyl-2-propylpentanamide
CID 82984398
N-(2-amino-2-sulfanylideneethyl)-2-cyclobutyl-N-propylacetamide
CID 103163676
2-[(dipropylamino)methyl]pentanamide
CID 23363408
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpentanamide
CID 54916217
N,N-bis(hydroxymethyl)-2-propyloctadecanamide
CID 139887023
N-(2-bromoethyl)-N-butyl-2-propylpentanamide
CID 82987659
N-(2-aminoethyl)-2-ethyl-N-propylbutanamide
CID 61349350
N-(3-amino-3-sulfanylidenepropyl)-2-ethyl-N-(3-methylbutyl)butanamide
CID 82104235

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N,2-dipropylpentanamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N,2-dipropylpentanamide (CID 82985340) is N-(2-amino-2-sulfanylideneethyl)-N,2-dipropylpentanamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N,2-dipropylpentanamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N,2-dipropylpentanamide is CCCC(CCC)C(=O)N(CCC)CC(N)=S.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N,2-dipropylpentanamide?
The InChIKey is VCEIFVVBLFKYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-4-7-11(8-5-2)13(16)15(9-6-3)10-12(14)17/h11H,4-10H2,1-3H3,(H2,14,17).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N,2-dipropylpentanamide?
N-(2-amino-2-sulfanylideneethyl)-N,2-dipropylpentanamide has a molecular weight of 258.43 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N,2-dipropylpentanamide is sourced from PubChem (CID 82985340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).