methyl (2R)-4-methyl-2-(naphthalen-2-ylsulfonylmethyl)pentanoate

C18H22O4S — CID 58256208

IUPACmethyl (2R)-4-methyl-2-(naphthalen-2-ylsulfonylmethyl)pentanoate
SMILESCOC(=O)[C@@H](CC(C)C)CS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H22O4S/c1-13(2)10-16(18(19)22-3)12-23(20,21)17-9-8-14-6-4-5-7-15(14)11-17/h4-9,11,13,16H,10,12H2,1-3H3/t16-/m0/s1
InChIKeyHMMHLZPYWBYDIX-INIZCTEOSA-N
MW334.44 g/mol
LogP3.45
Rot. Bonds6

About methyl (2R)-4-methyl-2-(naphthalen-2-ylsulfonylmethyl)pentanoate

methyl (2R)-4-methyl-2-(naphthalen-2-ylsulfonylmethyl)pentanoate (PubChem CID 58256208) has the molecular formula C18H22O4S and a molecular weight of 334.44 g/mol. Its IUPAC name is methyl (2R)-4-methyl-2-(naphthalen-2-ylsulfonylmethyl)pentanoate.

Molecular Properties

Compound Namemethyl (2R)-4-methyl-2-(naphthalen-2-ylsulfonylmethyl)pentanoate
PubChem CID58256208
Molecular FormulaC18H22O4S
Molecular Weight334.44 g/mol
Exact Mass334.12
IUPAC Namemethyl (2R)-4-methyl-2-(naphthalen-2-ylsulfonylmethyl)pentanoate
SMILESCOC(=O)[C@@H](CC(C)C)CS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H22O4S/c1-13(2)10-16(18(19)22-3)12-23(20,21)17-9-8-14-6-4-5-7-15(14)11-17/h4-9,11,13,16H,10,12H2,1-3H3/t16-/m0/s1
InChIKeyHMMHLZPYWBYDIX-INIZCTEOSA-N
XLogP3.45
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2-dimethoxyethylsulfonyl)naphthalene
CID 66223688
(3S)-3-methyl-4-naphthalen-2-ylsulfonylbutan-1-ol
CID 69383125
(2R)-1-amino-3-naphthalen-2-ylsulfonylpropan-2-ol
CID 114243943
5-[bis(2-acetyloxyethyl)amino]-4-(naphthalen-2-ylsulfonylmethyl)-5-oxopentanoic acid
CID 10839336
(3S)-4-naphthalen-2-ylsulfonyl-3-phenylbutanoic acid
CID 124637863
methyl 4-(naphthalen-2-ylsulfonylmethyl)-5-oxo-5-[[2-oxo-2-(propan-2-ylamino)ethyl]-pentylamino]pentanoate
CID 10744487
3-(ethylamino)-4-naphthalen-2-ylsulfonylbutan-1-ol
CID 64899704
methyl (2R)-4-methyl-2-(naphthalen-2-ylsulfinylamino)pentanoate
CID 143925978
diethyl 2-naphthalen-2-ylsulfonylpropanedioate
CID 134066731
methyl 2-(naphthalen-2-ylmethylamino)propanoate
CID 60691147
methyl 3-(2-methylpropylsulfonyl)benzoate
CID 118342719
1-[(2S)-1-naphthalen-2-ylsulfonylpropan-2-yl]azepan-1-ium
CID 7263273

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-4-methyl-2-(naphthalen-2-ylsulfonylmethyl)pentanoate?
The IUPAC name of methyl (2R)-4-methyl-2-(naphthalen-2-ylsulfonylmethyl)pentanoate (CID 58256208) is methyl (2R)-4-methyl-2-(naphthalen-2-ylsulfonylmethyl)pentanoate.
What is the SMILES notation for methyl (2R)-4-methyl-2-(naphthalen-2-ylsulfonylmethyl)pentanoate?
The canonical SMILES for methyl (2R)-4-methyl-2-(naphthalen-2-ylsulfonylmethyl)pentanoate is COC(=O)[C@@H](CC(C)C)CS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of methyl (2R)-4-methyl-2-(naphthalen-2-ylsulfonylmethyl)pentanoate?
The InChIKey is HMMHLZPYWBYDIX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22O4S/c1-13(2)10-16(18(19)22-3)12-23(20,21)17-9-8-14-6-4-5-7-15(14)11-17/h4-9,11,13,16H,10,12H2,1-3H3/t16-/m0/s1.
What are the key properties of methyl (2R)-4-methyl-2-(naphthalen-2-ylsulfonylmethyl)pentanoate?
methyl (2R)-4-methyl-2-(naphthalen-2-ylsulfonylmethyl)pentanoate has a molecular weight of 334.44 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-4-methyl-2-(naphthalen-2-ylsulfonylmethyl)pentanoate is sourced from PubChem (CID 58256208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).