ethane;2-methylpropane;1-(4-propan-2-ylphenyl)sulfinylpiperidin-3-ol

C20H37NO2S — CID 156877679

IUPACethane;2-methylpropane;1-(4-propan-2-ylphenyl)sulfinylpiperidin-3-ol
SMILESCC.CC(C)C.CC(C)c1ccc(S(=O)N2CCCC(O)C2)cc1
InChIInChI=1S/C14H21NO2S.C4H10.C2H6/c1-11(2)12-5-7-14(8-6-12)18(17)15-9-3-4-13(16)10-15;1-4(2)3;1-2/h5-8,11,13,16H,3-4,9-10H2,1-2H3;4H,1-3H3;1-2H3
InChIKeyQYENZHCBIAMBHC-UHFFFAOYSA-N
MW355.59 g/mol
LogP4.98
Rot. Bonds3

About ethane;2-methylpropane;1-(4-propan-2-ylphenyl)sulfinylpiperidin-3-ol

ethane;2-methylpropane;1-(4-propan-2-ylphenyl)sulfinylpiperidin-3-ol (PubChem CID 156877679) has the molecular formula C20H37NO2S and a molecular weight of 355.59 g/mol. Its IUPAC name is ethane;2-methylpropane;1-(4-propan-2-ylphenyl)sulfinylpiperidin-3-ol.

Molecular Properties

Compound Nameethane;2-methylpropane;1-(4-propan-2-ylphenyl)sulfinylpiperidin-3-ol
PubChem CID156877679
Molecular FormulaC20H37NO2S
Molecular Weight355.59 g/mol
Exact Mass355.25
IUPAC Nameethane;2-methylpropane;1-(4-propan-2-ylphenyl)sulfinylpiperidin-3-ol
SMILESCC.CC(C)C.CC(C)c1ccc(S(=O)N2CCCC(O)C2)cc1
InChIInChI=1S/C14H21NO2S.C4H10.C2H6/c1-11(2)12-5-7-14(8-6-12)18(17)15-9-3-4-13(16)10-15;1-4(2)3;1-2/h5-8,11,13,16H,3-4,9-10H2,1-2H3;4H,1-3H3;1-2H3
InChIKeyQYENZHCBIAMBHC-UHFFFAOYSA-N
XLogP4.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.59
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-(4-propan-2-ylphenyl)sulfinylpiperazine
CID 167474069
1-(4-chlorophenyl)sulfinyl-3-fluoropiperidine
CID 68782012
1-[4-(1-aminoethyl)phenyl]piperidin-3-ol
CID 61434763
1-(benzenesulfinyl)azetidin-3-ol
CID 131137863
ethane;1-(4-methylphenyl)sulfinylpiperidine
CID 178050291
(3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 111430995
1-[2-amino-1-(4-fluorophenyl)propyl]piperidin-3-ol
CID 55016863
(3S)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-3-ol
CID 111333775
1-(2-amino-1-phenylpropyl)piperidin-3-ol
CID 55017645
1-(1-cyclopropylethyl)piperidin-3-ol
CID 130668092
1-propan-2-yl-3-(4-propan-2-ylphenyl)piperidine
CID 118284645
2-[3-amino-4-(3-hydroxypiperidin-1-yl)phenyl]propanoic acid
CID 154132194

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpropane;1-(4-propan-2-ylphenyl)sulfinylpiperidin-3-ol?
The IUPAC name of ethane;2-methylpropane;1-(4-propan-2-ylphenyl)sulfinylpiperidin-3-ol (CID 156877679) is ethane;2-methylpropane;1-(4-propan-2-ylphenyl)sulfinylpiperidin-3-ol.
What is the SMILES notation for ethane;2-methylpropane;1-(4-propan-2-ylphenyl)sulfinylpiperidin-3-ol?
The canonical SMILES for ethane;2-methylpropane;1-(4-propan-2-ylphenyl)sulfinylpiperidin-3-ol is CC.CC(C)C.CC(C)c1ccc(S(=O)N2CCCC(O)C2)cc1.
What is the InChIKey of ethane;2-methylpropane;1-(4-propan-2-ylphenyl)sulfinylpiperidin-3-ol?
The InChIKey is QYENZHCBIAMBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S.C4H10.C2H6/c1-11(2)12-5-7-14(8-6-12)18(17)15-9-3-4-13(16)10-15;1-4(2)3;1-2/h5-8,11,13,16H,3-4,9-10H2,1-2H3;4H,1-3H3;1-2H3.
What are the key properties of ethane;2-methylpropane;1-(4-propan-2-ylphenyl)sulfinylpiperidin-3-ol?
ethane;2-methylpropane;1-(4-propan-2-ylphenyl)sulfinylpiperidin-3-ol has a molecular weight of 355.59 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpropane;1-(4-propan-2-ylphenyl)sulfinylpiperidin-3-ol is sourced from PubChem (CID 156877679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).