2-naphthalen-1-ylsulfonyloxazinane

C14H15NO3S — CID 114795467

IUPAC2-naphthalen-1-ylsulfonyloxazinane
SMILESO=S(=O)(c1cccc2ccccc12)N1CCCCO1
InChIInChI=1S/C14H15NO3S/c16-19(17,15-10-3-4-11-18-15)14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9H,3-4,10-11H2
InChIKeyNQGZHTRSRGSYFI-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.56
Rot. Bonds2

About 2-naphthalen-1-ylsulfonyloxazinane

2-naphthalen-1-ylsulfonyloxazinane (PubChem CID 114795467) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-naphthalen-1-ylsulfonyloxazinane.

Molecular Properties

Compound Name2-naphthalen-1-ylsulfonyloxazinane
PubChem CID114795467
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC Name2-naphthalen-1-ylsulfonyloxazinane
SMILESO=S(=O)(c1cccc2ccccc12)N1CCCCO1
InChIInChI=1S/C14H15NO3S/c16-19(17,15-10-3-4-11-18-15)14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9H,3-4,10-11H2
InChIKeyNQGZHTRSRGSYFI-UHFFFAOYSA-N
XLogP2.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-1-ylsulfonylpiperazine
CID 42626101
4-naphthalen-1-ylsulfonylpiperazine-2,6-dione
CID 114795554
cyclopentyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone
CID 24945401
1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxylic acid
CID 14315681
1-naphthalen-1-ylsulfonylazetidine-3-carboxylic acid
CID 114533548
3-ethyl-1-naphthalen-1-ylsulfonylpiperidine
CID 114795787
(2S)-2-methyl-1-naphthalen-1-ylsulfonylpiperazine;hydrochloride
CID 120717041
1-(3-chloro-2-pyridinyl)-4-naphthalen-1-ylsulfonylpiperazine
CID 68550970
potassium;hydride;naphthalene-1-sulfonic acid
CID 173036389
(NE)-N-(morpholin-4-ylmethylidene)naphthalene-1-sulfonamide
CID 167439579
3-methoxy-1-naphthalen-1-ylsulfonylpiperidine
CID 103740922
N-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride
CID 120714484

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylsulfonyloxazinane?
The IUPAC name of 2-naphthalen-1-ylsulfonyloxazinane (CID 114795467) is 2-naphthalen-1-ylsulfonyloxazinane.
What is the SMILES notation for 2-naphthalen-1-ylsulfonyloxazinane?
The canonical SMILES for 2-naphthalen-1-ylsulfonyloxazinane is O=S(=O)(c1cccc2ccccc12)N1CCCCO1.
What is the InChIKey of 2-naphthalen-1-ylsulfonyloxazinane?
The InChIKey is NQGZHTRSRGSYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c16-19(17,15-10-3-4-11-18-15)14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9H,3-4,10-11H2.
What are the key properties of 2-naphthalen-1-ylsulfonyloxazinane?
2-naphthalen-1-ylsulfonyloxazinane has a molecular weight of 277.34 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylsulfonyloxazinane is sourced from PubChem (CID 114795467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).