3-(2-aminobutylsulfanyl)-N-cyclohexylpropanamide

C13H26N2OS — CID 66228468

IUPAC3-(2-aminobutylsulfanyl)-N-cyclohexylpropanamide
SMILESCCC(N)CSCCC(=O)NC1CCCCC1
InChIInChI=1S/C13H26N2OS/c1-2-11(14)10-17-9-8-13(16)15-12-6-4-3-5-7-12/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyPOTUQOVUAWPFEO-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.30
Rot. Bonds7

About 3-(2-aminobutylsulfanyl)-N-cyclohexylpropanamide

3-(2-aminobutylsulfanyl)-N-cyclohexylpropanamide (PubChem CID 66228468) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is 3-(2-aminobutylsulfanyl)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-(2-aminobutylsulfanyl)-N-cyclohexylpropanamide
PubChem CID66228468
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name3-(2-aminobutylsulfanyl)-N-cyclohexylpropanamide
SMILESCCC(N)CSCCC(=O)NC1CCCCC1
InChIInChI=1S/C13H26N2OS/c1-2-11(14)10-17-9-8-13(16)15-12-6-4-3-5-7-12/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyPOTUQOVUAWPFEO-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.30
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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Related Compounds

(2S)-2-amino-3-[3-(cyclopropylamino)-3-oxopropyl]sulfanylpropanoic acid
CID 107773263
N-cyclooctylbutanamide
CID 4614062
N-cyclopentyl-3-methylsulfanylpropanamide
CID 60636725
4-(aminomethyl)-N-cyclohexylhexanamide
CID 112515401
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141
2-amino-3-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 43176432
2-(3-aminobutylsulfanyl)-N-cycloheptylacetamide
CID 66232120
2-(2-aminobutylsulfanyl)-N-(2-methylcyclohexyl)acetamide
CID 66230553
N-cyclooctylpropanamide
CID 3387497
N-cyclododecylpropanamide
CID 2784600
N-cyclodecylpropanamide
CID 122483649

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminobutylsulfanyl)-N-cyclohexylpropanamide?
The IUPAC name of 3-(2-aminobutylsulfanyl)-N-cyclohexylpropanamide (CID 66228468) is 3-(2-aminobutylsulfanyl)-N-cyclohexylpropanamide.
What is the SMILES notation for 3-(2-aminobutylsulfanyl)-N-cyclohexylpropanamide?
The canonical SMILES for 3-(2-aminobutylsulfanyl)-N-cyclohexylpropanamide is CCC(N)CSCCC(=O)NC1CCCCC1.
What is the InChIKey of 3-(2-aminobutylsulfanyl)-N-cyclohexylpropanamide?
The InChIKey is POTUQOVUAWPFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-2-11(14)10-17-9-8-13(16)15-12-6-4-3-5-7-12/h11-12H,2-10,14H2,1H3,(H,15,16).
What are the key properties of 3-(2-aminobutylsulfanyl)-N-cyclohexylpropanamide?
3-(2-aminobutylsulfanyl)-N-cyclohexylpropanamide has a molecular weight of 258.43 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminobutylsulfanyl)-N-cyclohexylpropanamide is sourced from PubChem (CID 66228468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).