N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyldecanamide

C16H30N2OS — CID 65447661

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyldecanamide
SMILESCCCCCCCCCC(=O)N(CCC(N)=S)C1CC1
InChIInChI=1S/C16H30N2OS/c1-2-3-4-5-6-7-8-9-16(19)18(14-10-11-14)13-12-15(17)20/h14H,2-13H2,1H3,(H2,17,20)
InChIKeyXKFKSHDRXCZQSU-UHFFFAOYSA-N
MW298.50 g/mol
LogP3.79
Rot. Bonds12

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

N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyldecanamide (PubChem CID 65447661) has the molecular formula C16H30N2OS and a molecular weight of 298.50 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyldecanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyldecanamide
PubChem CID65447661
Molecular FormulaC16H30N2OS
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyldecanamide
SMILESCCCCCCCCCC(=O)N(CCC(N)=S)C1CC1
InChIInChI=1S/C16H30N2OS/c1-2-3-4-5-6-7-8-9-16(19)18(14-10-11-14)13-12-15(17)20/h14H,2-13H2,1H3,(H2,17,20)
InChIKeyXKFKSHDRXCZQSU-UHFFFAOYSA-N
XLogP3.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.79
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-cyclopropyloctanamide
CID 54996806
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-cyclopropyldecanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyldecanamide (CID 65447661) is N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyldecanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyldecanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyldecanamide is CCCCCCCCCC(=O)N(CCC(N)=S)C1CC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyldecanamide?
The InChIKey is XKFKSHDRXCZQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS/c1-2-3-4-5-6-7-8-9-16(19)18(14-10-11-14)13-12-15(17)20/h14H,2-13H2,1H3,(H2,17,20).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyldecanamide?
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyldecanamide has a molecular weight of 298.50 g/mol, XLogP of 3.79, 12 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-cyclopropyldecanamide is sourced from PubChem (CID 65447661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).