2-butylsulfanyl-N-(4-hydroxycyclohexyl)propanamide

C13H25NO2S — CID 110901065

IUPAC2-butylsulfanyl-N-(4-hydroxycyclohexyl)propanamide
SMILESCCCCSC(C)C(=O)NC1CCC(O)CC1
InChIInChI=1S/C13H25NO2S/c1-3-4-9-17-10(2)13(16)14-11-5-7-12(15)8-6-11/h10-12,15H,3-9H2,1-2H3,(H,14,16)
InChIKeyDPIVGTNGAMHAEY-UHFFFAOYSA-N
MW259.41 g/mol
LogP2.33
Rot. Bonds6

About 2-butylsulfanyl-N-(4-hydroxycyclohexyl)propanamide

2-butylsulfanyl-N-(4-hydroxycyclohexyl)propanamide (PubChem CID 110901065) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 2-butylsulfanyl-N-(4-hydroxycyclohexyl)propanamide.

Molecular Properties

Compound Name2-butylsulfanyl-N-(4-hydroxycyclohexyl)propanamide
PubChem CID110901065
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name2-butylsulfanyl-N-(4-hydroxycyclohexyl)propanamide
SMILESCCCCSC(C)C(=O)NC1CCC(O)CC1
InChIInChI=1S/C13H25NO2S/c1-3-4-9-17-10(2)13(16)14-11-5-7-12(15)8-6-11/h10-12,15H,3-9H2,1-2H3,(H,14,16)
InChIKeyDPIVGTNGAMHAEY-UHFFFAOYSA-N
XLogP2.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.33
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-butylsulfanyl-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 95662681
2-amino-4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid
CID 60930107
N-cyclopropyl-2-[3-(3,5-dimethylphenoxy)propylsulfanyl]propanamide
CID 60542182
N-cyclopropyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide
CID 60542148
N-(4-hydroxycyclohexyl)dodecanamide
CID 61380713
2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylpropanamide
CID 43030011
(2R)-2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cycloheptylpropanamide
CID 8939009
(2S)-2-butylsulfanyl-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 99795365
1-(2-ethylhexyl)-3-(4-hydroxycyclohexyl)urea
CID 75885262
N-cyclopropyl-2-[(4-hydroxycyclohexyl)methylamino]propanamide
CID 114147898
2-(2-aminopropylsulfanyl)-N-cyclopentylpropanamide
CID 66219669
2-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanylacetic acid
CID 43082977

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N-(4-hydroxycyclohexyl)propanamide?
The IUPAC name of 2-butylsulfanyl-N-(4-hydroxycyclohexyl)propanamide (CID 110901065) is 2-butylsulfanyl-N-(4-hydroxycyclohexyl)propanamide.
What is the SMILES notation for 2-butylsulfanyl-N-(4-hydroxycyclohexyl)propanamide?
The canonical SMILES for 2-butylsulfanyl-N-(4-hydroxycyclohexyl)propanamide is CCCCSC(C)C(=O)NC1CCC(O)CC1.
What is the InChIKey of 2-butylsulfanyl-N-(4-hydroxycyclohexyl)propanamide?
The InChIKey is DPIVGTNGAMHAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-3-4-9-17-10(2)13(16)14-11-5-7-12(15)8-6-11/h10-12,15H,3-9H2,1-2H3,(H,14,16).
What are the key properties of 2-butylsulfanyl-N-(4-hydroxycyclohexyl)propanamide?
2-butylsulfanyl-N-(4-hydroxycyclohexyl)propanamide has a molecular weight of 259.41 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-(4-hydroxycyclohexyl)propanamide is sourced from PubChem (CID 110901065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).