(2R)-1-(azepan-1-yl)-2-naphthalen-2-ylsulfonylpropan-1-one

C19H23NO3S — CID 94149675

IUPAC(2R)-1-(azepan-1-yl)-2-naphthalen-2-ylsulfonylpropan-1-one
SMILESC[C@H](C(=O)N1CCCCCC1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H23NO3S/c1-15(19(21)20-12-6-2-3-7-13-20)24(22,23)18-11-10-16-8-4-5-9-17(16)14-18/h4-5,8-11,14-15H,2-3,6-7,12-13H2,1H3/t15-/m1/s1
InChIKeyQPJNMDUDDIUYFQ-OAHLLOKOSA-N
MW345.46 g/mol
LogP3.40
Rot. Bonds3

About (2R)-1-(azepan-1-yl)-2-naphthalen-2-ylsulfonylpropan-1-one

(2R)-1-(azepan-1-yl)-2-naphthalen-2-ylsulfonylpropan-1-one (PubChem CID 94149675) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is (2R)-1-(azepan-1-yl)-2-naphthalen-2-ylsulfonylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-(azepan-1-yl)-2-naphthalen-2-ylsulfonylpropan-1-one
PubChem CID94149675
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name(2R)-1-(azepan-1-yl)-2-naphthalen-2-ylsulfonylpropan-1-one
SMILESC[C@H](C(=O)N1CCCCCC1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H23NO3S/c1-15(19(21)20-12-6-2-3-7-13-20)24(22,23)18-11-10-16-8-4-5-9-17(16)14-18/h4-5,8-11,14-15H,2-3,6-7,12-13H2,1H3/t15-/m1/s1
InChIKeyQPJNMDUDDIUYFQ-OAHLLOKOSA-N
XLogP3.40
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(azepan-1-yl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 9493876
2-(4-aminophenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one
CID 61369164
(2R)-2-(naphthalen-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 41328427
(3S)-3-(naphthalen-2-ylsulfonylamino)-4-oxo-4-piperidin-1-ylbutanoic acid
CID 54460606
2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfonylbenzoic acid
CID 43117031
2-naphthalen-2-ylsulfonyl-1-pyrrolidin-1-ylethanone
CID 851310
(2R,3R)-N-hydroxy-5-methyl-2-[[methyl(naphthalen-2-ylsulfonyl)amino]methyl]-3-(piperidine-1-carbonyl)hexanamide
CID 54534379
2-(2-amino-6-chlorophenyl)sulfonyl-1-piperidin-1-ylpropan-1-one
CID 81185324
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
(3S)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidine-3-carboxylic acid
CID 125147539
diethyl 2-naphthalen-2-ylsulfonylpropanedioate
CID 134066731
N-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide
CID 1095030

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(azepan-1-yl)-2-naphthalen-2-ylsulfonylpropan-1-one?
The IUPAC name of (2R)-1-(azepan-1-yl)-2-naphthalen-2-ylsulfonylpropan-1-one (CID 94149675) is (2R)-1-(azepan-1-yl)-2-naphthalen-2-ylsulfonylpropan-1-one.
What is the SMILES notation for (2R)-1-(azepan-1-yl)-2-naphthalen-2-ylsulfonylpropan-1-one?
The canonical SMILES for (2R)-1-(azepan-1-yl)-2-naphthalen-2-ylsulfonylpropan-1-one is C[C@H](C(=O)N1CCCCCC1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-1-(azepan-1-yl)-2-naphthalen-2-ylsulfonylpropan-1-one?
The InChIKey is QPJNMDUDDIUYFQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-15(19(21)20-12-6-2-3-7-13-20)24(22,23)18-11-10-16-8-4-5-9-17(16)14-18/h4-5,8-11,14-15H,2-3,6-7,12-13H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-1-(azepan-1-yl)-2-naphthalen-2-ylsulfonylpropan-1-one?
(2R)-1-(azepan-1-yl)-2-naphthalen-2-ylsulfonylpropan-1-one has a molecular weight of 345.46 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(azepan-1-yl)-2-naphthalen-2-ylsulfonylpropan-1-one is sourced from PubChem (CID 94149675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).