(1S)-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propan-1-ol

C17H25NO2S — CID 10852270

IUPAC(1S)-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propan-1-ol
SMILESCC[C@H](O)[C@@H]1CCCC/C1=C/S(=O)(=NC)c1ccccc1
InChIInChI=1S/C17H25NO2S/c1-3-17(19)16-12-8-7-9-14(16)13-21(20,18-2)15-10-5-4-6-11-15/h4-6,10-11,13,16-17,19H,3,7-9,12H2,1-2H3/b14-13-/t16-,17+,21?/m1/s1
InChIKeyHDRIDOPJPQRJSI-GZNROMGISA-N
MW307.46 g/mol
LogP3.99
Rot. Bonds4

About (1S)-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propan-1-ol

(1S)-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propan-1-ol (PubChem CID 10852270) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is (1S)-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propan-1-ol
PubChem CID10852270
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name(1S)-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propan-1-ol
SMILESCC[C@H](O)[C@@H]1CCCC/C1=C/S(=O)(=NC)c1ccccc1
InChIInChI=1S/C17H25NO2S/c1-3-17(19)16-12-8-7-9-14(16)13-21(20,18-2)15-10-5-4-6-11-15/h4-6,10-11,13,16-17,19H,3,7-9,12H2,1-2H3/b14-13-/t16-,17+,21?/m1/s1
InChIKeyHDRIDOPJPQRJSI-GZNROMGISA-N
XLogP3.99
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-(tert-butylsulfonylamino)-2-[(1R,2E)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cycloheptyl]acetate
CID 101263026
2-[(1S)-1-hydroxypropyl]cyclohexan-1-one
CID 10749429
(1E,3R,4S,5Z)-4-cyclohexyl-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhexa-1,5-dien-3-ol
CID 101200001
[(2Z)-2-(ethoxymethylidene)cyclopentyl]sulfonylbenzene
CID 134999007
2-(benzenesulfonyl)pentan-3-ol
CID 62918399
[(E)-3-cyclohexylprop-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane
CID 10683958
2,2-bis(benzenesulfonyl)ethylcyclooctane
CID 132937122
(R)-(2-methylidenecyclohexyl)-phenylmethanol
CID 101364678
(2R)-2-[(R)-hydroxy(phenyl)methyl]cyclohexan-1-one
CID 7038954
methylimino-oxo-phenyl-[(Z)-2-phenylbut-2-enyl]-λ6-sulfane
CID 10493393
(2R)-2-[(S)-hydroxy(phenyl)methyl]cycloheptan-1-one
CID 12754674
[(Z)-2-ethylbut-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane
CID 10823803

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propan-1-ol?
The IUPAC name of (1S)-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propan-1-ol (CID 10852270) is (1S)-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propan-1-ol?
The canonical SMILES for (1S)-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propan-1-ol is CC[C@H](O)[C@@H]1CCCC/C1=C/S(=O)(=NC)c1ccccc1.
What is the InChIKey of (1S)-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propan-1-ol?
The InChIKey is HDRIDOPJPQRJSI-GZNROMGISA-N. The full InChI is InChI=1S/C17H25NO2S/c1-3-17(19)16-12-8-7-9-14(16)13-21(20,18-2)15-10-5-4-6-11-15/h4-6,10-11,13,16-17,19H,3,7-9,12H2,1-2H3/b14-13-/t16-,17+,21?/m1/s1.
What are the key properties of (1S)-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propan-1-ol?
(1S)-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propan-1-ol has a molecular weight of 307.46 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propan-1-ol is sourced from PubChem (CID 10852270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).