(Z,3S,4R)-4-cyclohexyl-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)hex-5-en-3-ol

C20H31NO2S — CID 10593963

IUPAC(Z,3S,4R)-4-cyclohexyl-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)hex-5-en-3-ol
SMILESCN=S(=O)(/C=C\[C@@H](C1CCCCC1)[C@@H](O)C(C)C)c1ccccc1
InChIInChI=1S/C20H31NO2S/c1-16(2)20(22)19(17-10-6-4-7-11-17)14-15-24(23,21-3)18-12-8-5-9-13-18/h5,8-9,12-17,19-20,22H,4,6-7,10-11H2,1-3H3/b15-14-/t19-,20-,24?/m0/s1
InChIKeyWTTCGPZUPNIDAI-HUBJHTQSSA-N
MW349.54 g/mol
LogP4.87
Rot. Bonds6

About (Z,3S,4R)-4-cyclohexyl-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)hex-5-en-3-ol

(Z,3S,4R)-4-cyclohexyl-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)hex-5-en-3-ol (PubChem CID 10593963) has the molecular formula C20H31NO2S and a molecular weight of 349.54 g/mol. Its IUPAC name is (Z,3S,4R)-4-cyclohexyl-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)hex-5-en-3-ol.

Molecular Properties

Compound Name(Z,3S,4R)-4-cyclohexyl-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)hex-5-en-3-ol
PubChem CID10593963
Molecular FormulaC20H31NO2S
Molecular Weight349.54 g/mol
Exact Mass349.21
IUPAC Name(Z,3S,4R)-4-cyclohexyl-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)hex-5-en-3-ol
SMILESCN=S(=O)(/C=C\[C@@H](C1CCCCC1)[C@@H](O)C(C)C)c1ccccc1
InChIInChI=1S/C20H31NO2S/c1-16(2)20(22)19(17-10-6-4-7-11-17)14-15-24(23,21-3)18-12-8-5-9-13-18/h5,8-9,12-17,19-20,22H,4,6-7,10-11H2,1-3H3/b15-14-/t19-,20-,24?/m0/s1
InChIKeyWTTCGPZUPNIDAI-HUBJHTQSSA-N
XLogP4.87
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.54
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z,3S,4R)-4-cyclohexyl-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)hex-5-en-3-ol?
The IUPAC name of (Z,3S,4R)-4-cyclohexyl-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)hex-5-en-3-ol (CID 10593963) is (Z,3S,4R)-4-cyclohexyl-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)hex-5-en-3-ol.
What is the SMILES notation for (Z,3S,4R)-4-cyclohexyl-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)hex-5-en-3-ol?
The canonical SMILES for (Z,3S,4R)-4-cyclohexyl-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)hex-5-en-3-ol is CN=S(=O)(/C=C\[C@@H](C1CCCCC1)[C@@H](O)C(C)C)c1ccccc1.
What is the InChIKey of (Z,3S,4R)-4-cyclohexyl-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)hex-5-en-3-ol?
The InChIKey is WTTCGPZUPNIDAI-HUBJHTQSSA-N. The full InChI is InChI=1S/C20H31NO2S/c1-16(2)20(22)19(17-10-6-4-7-11-17)14-15-24(23,21-3)18-12-8-5-9-13-18/h5,8-9,12-17,19-20,22H,4,6-7,10-11H2,1-3H3/b15-14-/t19-,20-,24?/m0/s1.
What are the key properties of (Z,3S,4R)-4-cyclohexyl-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)hex-5-en-3-ol?
(Z,3S,4R)-4-cyclohexyl-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)hex-5-en-3-ol has a molecular weight of 349.54 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3S,4R)-4-cyclohexyl-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)hex-5-en-3-ol is sourced from PubChem (CID 10593963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).