N-(3-amino-3-sulfanylidenepropyl)-N-benzylpentanamide

C15H22N2OS — CID 82103781

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-benzylpentanamide
SMILESCCCCC(=O)N(CCC(N)=S)Cc1ccccc1
InChIInChI=1S/C15H22N2OS/c1-2-3-9-15(18)17(11-10-14(16)19)12-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H2,16,19)
InChIKeyVNLFWBQPYXKXLE-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.88
Rot. Bonds8

About N-(3-amino-3-sulfanylidenepropyl)-N-benzylpentanamide

N-(3-amino-3-sulfanylidenepropyl)-N-benzylpentanamide (PubChem CID 82103781) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-benzylpentanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-benzylpentanamide
PubChem CID82103781
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-benzylpentanamide
SMILESCCCCC(=O)N(CCC(N)=S)Cc1ccccc1
InChIInChI=1S/C15H22N2OS/c1-2-3-9-15(18)17(11-10-14(16)19)12-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H2,16,19)
InChIKeyVNLFWBQPYXKXLE-UHFFFAOYSA-N
XLogP2.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.88
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

3-[benzyl(pentanoyl)amino]propanoic acid
CID 82323494
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
N,N'-bis(3-amino-3-oxopropyl)-N,N'-dibenzylhexanediamide
CID 28642999
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
4-amino-N-benzyl-N-propylbutanamide
CID 43588666
N-benzyl-N-butyl-4-hydroxybutanamide
CID 139706995
6-[benzyl(propyl)amino]-6-oxohexanoic acid
CID 43579947
5-[(3-amino-3-oxopropyl)-benzylamino]-5-oxopentanoic acid
CID 28642443
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide
CID 54988366
N-benzyl-N-butylpropanamide
CID 12502571
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N-(3-amino-3-oxopropyl)-N-benzyl-5-bromopentanamide
CID 107909271

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-benzylpentanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-benzylpentanamide (CID 82103781) is N-(3-amino-3-sulfanylidenepropyl)-N-benzylpentanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-benzylpentanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-benzylpentanamide is CCCCC(=O)N(CCC(N)=S)Cc1ccccc1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-benzylpentanamide?
The InChIKey is VNLFWBQPYXKXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-2-3-9-15(18)17(11-10-14(16)19)12-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H2,16,19).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-benzylpentanamide?
N-(3-amino-3-sulfanylidenepropyl)-N-benzylpentanamide has a molecular weight of 278.42 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-benzylpentanamide is sourced from PubChem (CID 82103781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).