(3S)-3-methyl-4-naphthalen-2-ylsulfonylbutan-1-ol

C15H18O3S — CID 69383125

IUPAC(3S)-3-methyl-4-naphthalen-2-ylsulfonylbutan-1-ol
SMILESC[C@@H](CCO)CS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H18O3S/c1-12(8-9-16)11-19(17,18)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,12,16H,8-9,11H2,1H3/t12-/m0/s1
InChIKeyOHMFVYAQDXCDNI-LBPRGKRZSA-N
MW278.37 g/mol
LogP2.63
Rot. Bonds5

About (3S)-3-methyl-4-naphthalen-2-ylsulfonylbutan-1-ol

(3S)-3-methyl-4-naphthalen-2-ylsulfonylbutan-1-ol (PubChem CID 69383125) has the molecular formula C15H18O3S and a molecular weight of 278.37 g/mol. Its IUPAC name is (3S)-3-methyl-4-naphthalen-2-ylsulfonylbutan-1-ol.

Molecular Properties

Compound Name(3S)-3-methyl-4-naphthalen-2-ylsulfonylbutan-1-ol
PubChem CID69383125
Molecular FormulaC15H18O3S
Molecular Weight278.37 g/mol
Exact Mass278.10
IUPAC Name(3S)-3-methyl-4-naphthalen-2-ylsulfonylbutan-1-ol
SMILESC[C@@H](CCO)CS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H18O3S/c1-12(8-9-16)11-19(17,18)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,12,16H,8-9,11H2,1H3/t12-/m0/s1
InChIKeyOHMFVYAQDXCDNI-LBPRGKRZSA-N
XLogP2.63
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonyl)-3-methylbutan-1-ol
CID 13358237
3-(ethylamino)-4-naphthalen-2-ylsulfonylbutan-1-ol
CID 64899704
2-(2,2-dimethoxyethylsulfonyl)naphthalene
CID 66223688
(2R)-1-amino-3-naphthalen-2-ylsulfonylpropan-2-ol
CID 114243943
methyl (2R)-4-methyl-2-(naphthalen-2-ylsulfonylmethyl)pentanoate
CID 58256208
1-[(2S)-1-naphthalen-2-ylsulfonylpropan-2-yl]azepan-1-ium
CID 7263273
4-(2-chlorophenyl)sulfonyl-3-methylbutan-1-ol
CID 71317728
2-[2-(bromomethyl)-3,3-dimethylbutyl]sulfonylnaphthalene
CID 65017357
(3S)-4-naphthalen-2-ylsulfonyl-3-phenylbutanoic acid
CID 124637863
3-(benzenesulfonyl)-2-methylpropan-1-ol
CID 13480680
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]naphthalene-2-sulfonamide
CID 79255723
naphthalene-2-sulfonic acid
CID 8420

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-4-naphthalen-2-ylsulfonylbutan-1-ol?
The IUPAC name of (3S)-3-methyl-4-naphthalen-2-ylsulfonylbutan-1-ol (CID 69383125) is (3S)-3-methyl-4-naphthalen-2-ylsulfonylbutan-1-ol.
What is the SMILES notation for (3S)-3-methyl-4-naphthalen-2-ylsulfonylbutan-1-ol?
The canonical SMILES for (3S)-3-methyl-4-naphthalen-2-ylsulfonylbutan-1-ol is C[C@@H](CCO)CS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (3S)-3-methyl-4-naphthalen-2-ylsulfonylbutan-1-ol?
The InChIKey is OHMFVYAQDXCDNI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18O3S/c1-12(8-9-16)11-19(17,18)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,12,16H,8-9,11H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-3-methyl-4-naphthalen-2-ylsulfonylbutan-1-ol?
(3S)-3-methyl-4-naphthalen-2-ylsulfonylbutan-1-ol has a molecular weight of 278.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-4-naphthalen-2-ylsulfonylbutan-1-ol is sourced from PubChem (CID 69383125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).