methyl (3S)-3-morpholin-4-yl-3-naphthalen-2-ylsulfonylpropanoate

C18H21NO5S — CID 7326369

IUPACmethyl (3S)-3-morpholin-4-yl-3-naphthalen-2-ylsulfonylpropanoate
SMILESCOC(=O)C[C@@H](N1CCOCC1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H21NO5S/c1-23-18(20)13-17(19-8-10-24-11-9-19)25(21,22)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12,17H,8-11,13H2,1H3/t17-/m0/s1
InChIKeyLYCKRKGKLAYJLY-KRWDZBQOSA-N
MW363.44 g/mol
LogP1.83
Rot. Bonds5

About methyl (3S)-3-morpholin-4-yl-3-naphthalen-2-ylsulfonylpropanoate

methyl (3S)-3-morpholin-4-yl-3-naphthalen-2-ylsulfonylpropanoate (PubChem CID 7326369) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is methyl (3S)-3-morpholin-4-yl-3-naphthalen-2-ylsulfonylpropanoate.

Molecular Properties

Compound Namemethyl (3S)-3-morpholin-4-yl-3-naphthalen-2-ylsulfonylpropanoate
PubChem CID7326369
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Namemethyl (3S)-3-morpholin-4-yl-3-naphthalen-2-ylsulfonylpropanoate
SMILESCOC(=O)C[C@@H](N1CCOCC1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H21NO5S/c1-23-18(20)13-17(19-8-10-24-11-9-19)25(21,22)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12,17H,8-11,13H2,1H3/t17-/m0/s1
InChIKeyLYCKRKGKLAYJLY-KRWDZBQOSA-N
XLogP1.83
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(1-morpholin-4-ylethoxy)naphthalene-2-sulfonic acid
CID 89239885
N-(2-morpholin-4-yl-2-phenylethyl)naphthalene-2-sulfonamide
CID 47023208
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 44892270
3-morpholin-4-yl-4-(naphthalen-2-ylamino)-4-oxobutanoic acid
CID 5000095
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-ylacetamide
CID 26065527
diethyl 2-naphthalen-2-ylsulfonylpropanedioate
CID 134066731
N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]naphthalene-2-carboxamide
CID 25497917
N-(2-morpholin-4-ylethyl)naphthalene-2-sulfonamide chloride
CID 45109707
methyl 3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361476
N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-naphthalen-2-yloxypropanamide
CID 133234805
(2R)-1-(azepan-1-yl)-2-naphthalen-2-ylsulfonylpropan-1-one
CID 94149675
methanesulfonic acid;naphthalene-2-sulfonic acid
CID 87841078

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-morpholin-4-yl-3-naphthalen-2-ylsulfonylpropanoate?
The IUPAC name of methyl (3S)-3-morpholin-4-yl-3-naphthalen-2-ylsulfonylpropanoate (CID 7326369) is methyl (3S)-3-morpholin-4-yl-3-naphthalen-2-ylsulfonylpropanoate.
What is the SMILES notation for methyl (3S)-3-morpholin-4-yl-3-naphthalen-2-ylsulfonylpropanoate?
The canonical SMILES for methyl (3S)-3-morpholin-4-yl-3-naphthalen-2-ylsulfonylpropanoate is COC(=O)C[C@@H](N1CCOCC1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of methyl (3S)-3-morpholin-4-yl-3-naphthalen-2-ylsulfonylpropanoate?
The InChIKey is LYCKRKGKLAYJLY-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-23-18(20)13-17(19-8-10-24-11-9-19)25(21,22)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12,17H,8-11,13H2,1H3/t17-/m0/s1.
What are the key properties of methyl (3S)-3-morpholin-4-yl-3-naphthalen-2-ylsulfonylpropanoate?
methyl (3S)-3-morpholin-4-yl-3-naphthalen-2-ylsulfonylpropanoate has a molecular weight of 363.44 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-morpholin-4-yl-3-naphthalen-2-ylsulfonylpropanoate is sourced from PubChem (CID 7326369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).