N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyloctanamide

C14H26N2OS — CID 54996806

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyloctanamide
SMILESCCCCCCCC(=O)N(CCC(N)=S)C1CC1
InChIInChI=1S/C14H26N2OS/c1-2-3-4-5-6-7-14(17)16(12-8-9-12)11-10-13(15)18/h12H,2-11H2,1H3,(H2,15,18)
InChIKeyASFQBYNMWXYPHC-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.01
Rot. Bonds10

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

N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyloctanamide (PubChem CID 54996806) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyloctanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyloctanamide
PubChem CID54996806
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyloctanamide
SMILESCCCCCCCC(=O)N(CCC(N)=S)C1CC1
InChIInChI=1S/C14H26N2OS/c1-2-3-4-5-6-7-14(17)16(12-8-9-12)11-10-13(15)18/h12H,2-11H2,1H3,(H2,15,18)
InChIKeyASFQBYNMWXYPHC-UHFFFAOYSA-N
XLogP3.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyldecanamide
CID 65447661
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropylnonanamide
CID 65447660
N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexylpentanamide
CID 82103900
N-(3-aminopropyl)-N-cyclopropyloctanamide
CID 43136708
3-[cyclopropyl(hexanoyl)amino]propanoic acid
CID 60843685
N-(2-chloroethyl)-N-cyclopropylnonanamide
CID 65426813
N-(2-aminoethyl)-N-cyclobutylheptanamide
CID 102874052
N-(3-amino-3-sulfanylidenepropyl)-N-methylnonanamide
CID 65449539
N-(3-aminopropyl)-N-cyclobutylhexanamide
CID 102873870
N-(2-bromoethyl)-N-cyclobutyloctanamide
CID 102873095
N-cyclobutyl-N-(3-hydroxypropyl)decanamide
CID 102866665
N-(3-aminopropyl)-N-cycloheptylheptanamide
CID 114751887

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyloctanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyloctanamide (CID 54996806) is N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyloctanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyloctanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyloctanamide is CCCCCCCC(=O)N(CCC(N)=S)C1CC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyloctanamide?
The InChIKey is ASFQBYNMWXYPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-2-3-4-5-6-7-14(17)16(12-8-9-12)11-10-13(15)18/h12H,2-11H2,1H3,(H2,15,18).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyloctanamide?
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyloctanamide has a molecular weight of 270.44 g/mol, XLogP of 3.01, 10 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-cyclopropyloctanamide is sourced from PubChem (CID 54996806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).