(1S)-2-[dimethyl(phenyl)-λ4-sulfanyl]-1-[(2S)-piperidin-2-yl]ethanol

C15H25NOS — CID 155010585

IUPAC(1S)-2-[dimethyl(phenyl)-λ4-sulfanyl]-1-[(2S)-piperidin-2-yl]ethanol
SMILESCS(C)(C[C@@H](O)[C@@H]1CCCCN1)c1ccccc1
InChIInChI=1S/C15H25NOS/c1-18(2,13-8-4-3-5-9-13)12-15(17)14-10-6-7-11-16-14/h3-5,8-9,14-17H,6-7,10-12H2,1-2H3/t14-,15+/m0/s1
InChIKeyPDNYXPGFLKUUSL-LSDHHAIUSA-N
MW267.44 g/mol
LogP2.61
Rot. Bonds4

About (1S)-2-[dimethyl(phenyl)-λ4-sulfanyl]-1-[(2S)-piperidin-2-yl]ethanol

(1S)-2-[dimethyl(phenyl)-λ4-sulfanyl]-1-[(2S)-piperidin-2-yl]ethanol (PubChem CID 155010585) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is (1S)-2-[dimethyl(phenyl)-λ4-sulfanyl]-1-[(2S)-piperidin-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-[dimethyl(phenyl)-λ4-sulfanyl]-1-[(2S)-piperidin-2-yl]ethanol
PubChem CID155010585
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name(1S)-2-[dimethyl(phenyl)-λ4-sulfanyl]-1-[(2S)-piperidin-2-yl]ethanol
SMILESCS(C)(C[C@@H](O)[C@@H]1CCCCN1)c1ccccc1
InChIInChI=1S/C15H25NOS/c1-18(2,13-8-4-3-5-9-13)12-15(17)14-10-6-7-11-16-14/h3-5,8-9,14-17H,6-7,10-12H2,1-2H3/t14-,15+/m0/s1
InChIKeyPDNYXPGFLKUUSL-LSDHHAIUSA-N
XLogP2.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 138485657
1-(azepan-2-yl)ethane-1,2-diol
CID 115006977
(S)-benzenesulfonyl-[(2R)-pyrrolidin-2-yl]methanol;(R)-benzenesulfonyl-[(2S)-pyrrolidin-2-yl]methanol
CID 165053495
2-(4-phenylphenoxy)-1-piperidin-2-ylethanol
CID 14500424
2-[azepan-2-yl(hydroxy)methyl]phenol
CID 84686926
benzyl (2S)-2-hydroxy-2-[(2S)-pyrrolidin-2-yl]ethanesulfonate
CID 155141546
(1R)-2-(3-phenylpropoxy)-1-[(2R)-piperidin-2-yl]ethanol
CID 14201549
2,2-diphenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 118229705
benzene;ethane;1-piperidin-2-ylethanol;propane
CID 155698594
2,2-diphenyl-1-pyrrolidin-2-ylethanol
CID 69294076
2,2-diphenyl-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 68647594
(1S)-2-[methyl(phenyl)phosphoryl]-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 155141516

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[dimethyl(phenyl)-λ4-sulfanyl]-1-[(2S)-piperidin-2-yl]ethanol?
The IUPAC name of (1S)-2-[dimethyl(phenyl)-λ4-sulfanyl]-1-[(2S)-piperidin-2-yl]ethanol (CID 155010585) is (1S)-2-[dimethyl(phenyl)-λ4-sulfanyl]-1-[(2S)-piperidin-2-yl]ethanol.
What is the SMILES notation for (1S)-2-[dimethyl(phenyl)-λ4-sulfanyl]-1-[(2S)-piperidin-2-yl]ethanol?
The canonical SMILES for (1S)-2-[dimethyl(phenyl)-λ4-sulfanyl]-1-[(2S)-piperidin-2-yl]ethanol is CS(C)(C[C@@H](O)[C@@H]1CCCCN1)c1ccccc1.
What is the InChIKey of (1S)-2-[dimethyl(phenyl)-λ4-sulfanyl]-1-[(2S)-piperidin-2-yl]ethanol?
The InChIKey is PDNYXPGFLKUUSL-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H25NOS/c1-18(2,13-8-4-3-5-9-13)12-15(17)14-10-6-7-11-16-14/h3-5,8-9,14-17H,6-7,10-12H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of (1S)-2-[dimethyl(phenyl)-λ4-sulfanyl]-1-[(2S)-piperidin-2-yl]ethanol?
(1S)-2-[dimethyl(phenyl)-λ4-sulfanyl]-1-[(2S)-piperidin-2-yl]ethanol has a molecular weight of 267.44 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[dimethyl(phenyl)-λ4-sulfanyl]-1-[(2S)-piperidin-2-yl]ethanol is sourced from PubChem (CID 155010585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).