(1S,4R)-2-[1-(N-methyl-S-phenylsulfonimidoyl)ethyl]bicyclo[2.2.1]heptan-2-ol

C16H23NO2S — CID 134886734

IUPAC(1S,4R)-2-[1-(N-methyl-S-phenylsulfonimidoyl)ethyl]bicyclo[2.2.1]heptan-2-ol
SMILESCN=S(=O)(c1ccccc1)C(C)C1(O)C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C16H23NO2S/c1-12(16(18)11-13-8-9-14(16)10-13)20(19,17-2)15-6-4-3-5-7-15/h3-7,12-14,18H,8-11H2,1-2H3/t12?,13-,14+,16?,20?/m1/s1
InChIKeyMGFHDUPJCNIAKP-RFGSCJFNSA-N
MW293.43 g/mol
LogP3.08
Rot. Bonds3

About (1S,4R)-2-[1-(N-methyl-S-phenylsulfonimidoyl)ethyl]bicyclo[2.2.1]heptan-2-ol

(1S,4R)-2-[1-(N-methyl-S-phenylsulfonimidoyl)ethyl]bicyclo[2.2.1]heptan-2-ol (PubChem CID 134886734) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is (1S,4R)-2-[1-(N-methyl-S-phenylsulfonimidoyl)ethyl]bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,4R)-2-[1-(N-methyl-S-phenylsulfonimidoyl)ethyl]bicyclo[2.2.1]heptan-2-ol
PubChem CID134886734
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name(1S,4R)-2-[1-(N-methyl-S-phenylsulfonimidoyl)ethyl]bicyclo[2.2.1]heptan-2-ol
SMILESCN=S(=O)(c1ccccc1)C(C)C1(O)C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C16H23NO2S/c1-12(16(18)11-13-8-9-14(16)10-13)20(19,17-2)15-6-4-3-5-7-15/h3-7,12-14,18H,8-11H2,1-2H3/t12?,13-,14+,16?,20?/m1/s1
InChIKeyMGFHDUPJCNIAKP-RFGSCJFNSA-N
XLogP3.08
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,4R)-2-[1-(N-methyl-S-phenylsulfonimidoyl)ethyl]bicyclo[2.2.1]heptan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,3R,4S,5R)-1,4-dimethyl-3-[(N-methyl-S-phenylsulfonimidoyl)methyl]bicyclo[3.2.0]heptan-3-ol
CID 25223648
(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
(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
(2S,3aS,7aR)-2-(phenylsulfanylmethyl)-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol
CID 102298300
2,2-dimethyl-8-[(N-methyl-S-phenylsulfonimidoyl)methyl]spiro[2.5]octan-8-ol
CID 134877846
(1R,4S)-3,3-dimethyl-2-[(N-methyl-S-phenylsulfonimidoyl)methyl]bicyclo[2.2.1]heptan-2-ol
CID 134983164
(1R,2R,4R)-2-[(E)-1-iodo-2-[(R)-phenylsulfinyl]ethenyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 139119559
(1S,2R,4R)-1-[(4-fluorophenyl)sulfinylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 102446232
4-(Benzenesulfonylmethyl)tricyclo[3.2.1.02,4]octan-2-ol
CID 284616
3'-(Benzenesulfonyl)spiro[bicyclo[2.2.1]heptane-2,2'-oxirane]
CID 71322746

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-2-[1-(N-methyl-S-phenylsulfonimidoyl)ethyl]bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1S,4R)-2-[1-(N-methyl-S-phenylsulfonimidoyl)ethyl]bicyclo[2.2.1]heptan-2-ol (CID 134886734) is (1S,4R)-2-[1-(N-methyl-S-phenylsulfonimidoyl)ethyl]bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1S,4R)-2-[1-(N-methyl-S-phenylsulfonimidoyl)ethyl]bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1S,4R)-2-[1-(N-methyl-S-phenylsulfonimidoyl)ethyl]bicyclo[2.2.1]heptan-2-ol is CN=S(=O)(c1ccccc1)C(C)C1(O)C[C@@H]2CC[C@H]1C2.
What is the InChIKey of (1S,4R)-2-[1-(N-methyl-S-phenylsulfonimidoyl)ethyl]bicyclo[2.2.1]heptan-2-ol?
The InChIKey is MGFHDUPJCNIAKP-RFGSCJFNSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-12(16(18)11-13-8-9-14(16)10-13)20(19,17-2)15-6-4-3-5-7-15/h3-7,12-14,18H,8-11H2,1-2H3/t12?,13-,14+,16?,20?/m1/s1.
What are the key properties of (1S,4R)-2-[1-(N-methyl-S-phenylsulfonimidoyl)ethyl]bicyclo[2.2.1]heptan-2-ol?
(1S,4R)-2-[1-(N-methyl-S-phenylsulfonimidoyl)ethyl]bicyclo[2.2.1]heptan-2-ol has a molecular weight of 293.43 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-2-[1-(N-methyl-S-phenylsulfonimidoyl)ethyl]bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 134886734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).