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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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).