2,2-dimethyl-8-[(N-methyl-S-phenylsulfonimidoyl)methyl]spiro[2.5]octan-8-ol

C18H27NO2S — CID 134877846

IUPAC2,2-dimethyl-8-[(N-methyl-S-phenylsulfonimidoyl)methyl]spiro[2.5]octan-8-ol
SMILESCN=S(=O)(CC1(O)CCCCC12CC2(C)C)c1ccccc1
InChIInChI=1S/C18H27NO2S/c1-16(2)13-17(16)11-7-8-12-18(17,20)14-22(21,19-3)15-9-5-4-6-10-15/h4-6,9-10,20H,7-8,11-14H2,1-3H3
InChIKeyFBXAWCABLWQSON-UHFFFAOYSA-N
MW321.49 g/mol
LogP3.86
Rot. Bonds3

About 2,2-dimethyl-8-[(N-methyl-S-phenylsulfonimidoyl)methyl]spiro[2.5]octan-8-ol

2,2-dimethyl-8-[(N-methyl-S-phenylsulfonimidoyl)methyl]spiro[2.5]octan-8-ol (PubChem CID 134877846) has the molecular formula C18H27NO2S and a molecular weight of 321.49 g/mol. Its IUPAC name is 2,2-dimethyl-8-[(N-methyl-S-phenylsulfonimidoyl)methyl]spiro[2.5]octan-8-ol.

Molecular Properties

Compound Name2,2-dimethyl-8-[(N-methyl-S-phenylsulfonimidoyl)methyl]spiro[2.5]octan-8-ol
PubChem CID134877846
Molecular FormulaC18H27NO2S
Molecular Weight321.49 g/mol
Exact Mass321.18
IUPAC Name2,2-dimethyl-8-[(N-methyl-S-phenylsulfonimidoyl)methyl]spiro[2.5]octan-8-ol
SMILESCN=S(=O)(CC1(O)CCCCC12CC2(C)C)c1ccccc1
InChIInChI=1S/C18H27NO2S/c1-16(2)13-17(16)11-7-8-12-18(17,20)14-22(21,19-3)15-9-5-4-6-10-15/h4-6,9-10,20H,7-8,11-14H2,1-3H3
InChIKeyFBXAWCABLWQSON-UHFFFAOYSA-N
XLogP3.86
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Allyl-2-methyl-1-((phenylsulfinyl)methyl)cyclohexanol
CID 363790
(Z,3S,4R)-4-cyclohexyl-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)hex-5-en-3-ol
CID 10593963
(1R,2R,4S)-4-methyl-6-methylidene-2-[(N-methyl-S-phenylsulfonimidoyl)methyl]bicyclo[2.2.2]octan-2-ol
CID 15276042
(1S,2S,4R)-4-methyl-6-methylidene-2-[(N-methyl-S-phenylsulfonimidoyl)methyl]bicyclo[2.2.2]octan-2-ol
CID 15276043
(1S,2R,15S)-2-[(N-methyl-S-phenylsulfonimidoyl)methyl]bicyclo[13.1.0]hexadecan-2-ol
CID 25038898
(3R,4R)-3-[(N-methyl-S-phenylsulfonimidoyl)methyl]dispiro[3.0.45.34]dodecan-3-ol
CID 25041900
(3S,4S)-3-[(N-methyl-S-phenylsulfonimidoyl)methyl]dispiro[3.0.45.34]dodecan-3-ol
CID 25041901
(1RS,2SR,6SR,8SR)-2,6-Dimethyl-8-(phenylsulfonyl)bicyclo[4.2.0]octan-1-ol
CID 102466200
2,2,6,6-Tetramethyl-1-(phenylsulfanylmethyl)cyclohexan-1-ol
CID 134880464
(E)-2-methyl-1-(N-methyl-S-phenylsulfonimidoyl)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol
CID 134886691
3-methyl-2-(N-methyl-S-phenylsulfonimidoyl)octan-3-ol
CID 134886733
(1S,4R)-2-[1-(N-methyl-S-phenylsulfonimidoyl)ethyl]bicyclo[2.2.1]heptan-2-ol
CID 134886734

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-8-[(N-methyl-S-phenylsulfonimidoyl)methyl]spiro[2.5]octan-8-ol?
The IUPAC name of 2,2-dimethyl-8-[(N-methyl-S-phenylsulfonimidoyl)methyl]spiro[2.5]octan-8-ol (CID 134877846) is 2,2-dimethyl-8-[(N-methyl-S-phenylsulfonimidoyl)methyl]spiro[2.5]octan-8-ol.
What is the SMILES notation for 2,2-dimethyl-8-[(N-methyl-S-phenylsulfonimidoyl)methyl]spiro[2.5]octan-8-ol?
The canonical SMILES for 2,2-dimethyl-8-[(N-methyl-S-phenylsulfonimidoyl)methyl]spiro[2.5]octan-8-ol is CN=S(=O)(CC1(O)CCCCC12CC2(C)C)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-8-[(N-methyl-S-phenylsulfonimidoyl)methyl]spiro[2.5]octan-8-ol?
The InChIKey is FBXAWCABLWQSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2S/c1-16(2)13-17(16)11-7-8-12-18(17,20)14-22(21,19-3)15-9-5-4-6-10-15/h4-6,9-10,20H,7-8,11-14H2,1-3H3.
What are the key properties of 2,2-dimethyl-8-[(N-methyl-S-phenylsulfonimidoyl)methyl]spiro[2.5]octan-8-ol?
2,2-dimethyl-8-[(N-methyl-S-phenylsulfonimidoyl)methyl]spiro[2.5]octan-8-ol has a molecular weight of 321.49 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-8-[(N-methyl-S-phenylsulfonimidoyl)methyl]spiro[2.5]octan-8-ol is sourced from PubChem (CID 134877846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).