N-(3-hydroxycyclohexyl)-3-phenylsulfanylpropanamide

C15H21NO2S — CID 71786219

IUPACN-(3-hydroxycyclohexyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NC1CCCC(O)C1
InChIInChI=1S/C15H21NO2S/c17-13-6-4-5-12(11-13)16-15(18)9-10-19-14-7-2-1-3-8-14/h1-3,7-8,12-13,17H,4-6,9-11H2,(H,16,18)
InChIKeyJKQFCZDDHDWPKE-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.59
Rot. Bonds5

About N-(3-hydroxycyclohexyl)-3-phenylsulfanylpropanamide

N-(3-hydroxycyclohexyl)-3-phenylsulfanylpropanamide (PubChem CID 71786219) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-(3-hydroxycyclohexyl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(3-hydroxycyclohexyl)-3-phenylsulfanylpropanamide
PubChem CID71786219
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-(3-hydroxycyclohexyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NC1CCCC(O)C1
InChIInChI=1S/C15H21NO2S/c17-13-6-4-5-12(11-13)16-15(18)9-10-19-14-7-2-1-3-8-14/h1-3,7-8,12-13,17H,4-6,9-11H2,(H,16,18)
InChIKeyJKQFCZDDHDWPKE-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-(4-phenylsulfanylbutanoylamino)cyclopentane-1-carboxylic acid
CID 106320189
N-(2-bicyclo[2.2.1]heptanyl)-3-phenylsulfanylpropanamide
CID 2899831
N-(1,1-dioxothiolan-3-yl)-3-phenylsulfanylpropanamide
CID 51073754
N-cyclopropyl-3-(2-phenylsulfanylethylamino)propanamide
CID 55098586
N-cyclopentyl-2-(2-phenylsulfanylethylamino)acetamide
CID 60661799
[2-(cyclohexylamino)-2-oxoethyl] 4-phenylsulfanylbutanoate
CID 86932164
2-amino-N-(3-hydroxycyclohexyl)-2-phenylacetamide
CID 43696117
N-[2-(cyclopropylamino)-2-oxoethyl]-4-phenylsulfanylbutanamide
CID 18163734
N-[(4-hydroxycyclohexyl)methyl]-3-phenylsulfanylpropanamide
CID 106121354
benzyl N-(3-hydroxycyclohexyl)carbamate
CID 14476840
N-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-3-phenylsulfanylpropanamide
CID 75279875
N-(cyclopropylmethyl)-3-phenylsulfanylpropanamide
CID 51076427

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxycyclohexyl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(3-hydroxycyclohexyl)-3-phenylsulfanylpropanamide (CID 71786219) is N-(3-hydroxycyclohexyl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(3-hydroxycyclohexyl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(3-hydroxycyclohexyl)-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)NC1CCCC(O)C1.
What is the InChIKey of N-(3-hydroxycyclohexyl)-3-phenylsulfanylpropanamide?
The InChIKey is JKQFCZDDHDWPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c17-13-6-4-5-12(11-13)16-15(18)9-10-19-14-7-2-1-3-8-14/h1-3,7-8,12-13,17H,4-6,9-11H2,(H,16,18).
What are the key properties of N-(3-hydroxycyclohexyl)-3-phenylsulfanylpropanamide?
N-(3-hydroxycyclohexyl)-3-phenylsulfanylpropanamide has a molecular weight of 279.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxycyclohexyl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 71786219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).