N-(2-amino-1-cyclohexylethyl)-3-butylsulfanylpropanamide

C15H30N2OS — CID 119592153

IUPACN-(2-amino-1-cyclohexylethyl)-3-butylsulfanylpropanamide
SMILESCCCCSCCC(=O)NC(CN)C1CCCCC1
InChIInChI=1S/C15H30N2OS/c1-2-3-10-19-11-9-15(18)17-14(12-16)13-7-5-4-6-8-13/h13-14H,2-12,16H2,1H3,(H,17,18)
InChIKeyUFOXCYUFWSSGDH-UHFFFAOYSA-N
MW286.49 g/mol
LogP2.93
Rot. Bonds9

About N-(2-amino-1-cyclohexylethyl)-3-butylsulfanylpropanamide

N-(2-amino-1-cyclohexylethyl)-3-butylsulfanylpropanamide (PubChem CID 119592153) has the molecular formula C15H30N2OS and a molecular weight of 286.49 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3-butylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3-butylsulfanylpropanamide
PubChem CID119592153
Molecular FormulaC15H30N2OS
Molecular Weight286.49 g/mol
Exact Mass286.21
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3-butylsulfanylpropanamide
SMILESCCCCSCCC(=O)NC(CN)C1CCCCC1
InChIInChI=1S/C15H30N2OS/c1-2-3-10-19-11-9-15(18)17-14(12-16)13-7-5-4-6-8-13/h13-14H,2-12,16H2,1H3,(H,17,18)
InChIKeyUFOXCYUFWSSGDH-UHFFFAOYSA-N
XLogP2.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-butylsulfanylpropanamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-butylsulfanylpropanamide (CID 119592153) is N-(2-amino-1-cyclohexylethyl)-3-butylsulfanylpropanamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3-butylsulfanylpropanamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3-butylsulfanylpropanamide is CCCCSCCC(=O)NC(CN)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3-butylsulfanylpropanamide?
The InChIKey is UFOXCYUFWSSGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2OS/c1-2-3-10-19-11-9-15(18)17-14(12-16)13-7-5-4-6-8-13/h13-14H,2-12,16H2,1H3,(H,17,18).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3-butylsulfanylpropanamide?
N-(2-amino-1-cyclohexylethyl)-3-butylsulfanylpropanamide has a molecular weight of 286.49 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-3-butylsulfanylpropanamide is sourced from PubChem (CID 119592153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).