1-(4-propan-2-yloxynaphthalen-1-yl)sulfonylazepane

C19H25NO3S — CID 53384704

IUPAC1-(4-propan-2-yloxynaphthalen-1-yl)sulfonylazepane
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCCCCC2)c2ccccc12
InChIInChI=1S/C19H25NO3S/c1-15(2)23-18-11-12-19(17-10-6-5-9-16(17)18)24(21,22)20-13-7-3-4-8-14-20/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3
InChIKeyGNLOFGDTTRWXHO-UHFFFAOYSA-N
MW347.48 g/mol
LogP4.19
Rot. Bonds4

About 1-(4-propan-2-yloxynaphthalen-1-yl)sulfonylazepane

1-(4-propan-2-yloxynaphthalen-1-yl)sulfonylazepane (PubChem CID 53384704) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-(4-propan-2-yloxynaphthalen-1-yl)sulfonylazepane.

Molecular Properties

Compound Name1-(4-propan-2-yloxynaphthalen-1-yl)sulfonylazepane
PubChem CID53384704
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name1-(4-propan-2-yloxynaphthalen-1-yl)sulfonylazepane
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCCCCC2)c2ccccc12
InChIInChI=1S/C19H25NO3S/c1-15(2)23-18-11-12-19(17-10-6-5-9-16(17)18)24(21,22)20-13-7-3-4-8-14-20/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3
InChIKeyGNLOFGDTTRWXHO-UHFFFAOYSA-N
XLogP4.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 1075093
1-(4-methoxy-2,3-dimethylphenyl)sulfonylazepane
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1-[1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119975042
1-(2-propan-2-ylphenyl)sulfonylpyrrolidine
CID 20754489
1-(2-chlorophenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine
CID 1296699
1-(2-methylsulfonylphenyl)sulfonylazepane
CID 86922481
1-(2-propan-2-yloxyphenyl)sulfonylpiperazine
CID 141221237
(3S)-1-(4-methoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine
CID 39617509
N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-4-propan-2-yloxynaphthalene-1-sulfonamide
CID 167847330
2-[4-(4-propoxynaphthalen-1-yl)sulfonylpiperazin-1-yl]ethanol
CID 16644919
1-[5-(difluoromethoxy)naphthalen-1-yl]sulfonylpiperazine
CID 176668113

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxynaphthalen-1-yl)sulfonylazepane?
The IUPAC name of 1-(4-propan-2-yloxynaphthalen-1-yl)sulfonylazepane (CID 53384704) is 1-(4-propan-2-yloxynaphthalen-1-yl)sulfonylazepane.
What is the SMILES notation for 1-(4-propan-2-yloxynaphthalen-1-yl)sulfonylazepane?
The canonical SMILES for 1-(4-propan-2-yloxynaphthalen-1-yl)sulfonylazepane is CC(C)Oc1ccc(S(=O)(=O)N2CCCCCC2)c2ccccc12.
What is the InChIKey of 1-(4-propan-2-yloxynaphthalen-1-yl)sulfonylazepane?
The InChIKey is GNLOFGDTTRWXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-15(2)23-18-11-12-19(17-10-6-5-9-16(17)18)24(21,22)20-13-7-3-4-8-14-20/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3.
What are the key properties of 1-(4-propan-2-yloxynaphthalen-1-yl)sulfonylazepane?
1-(4-propan-2-yloxynaphthalen-1-yl)sulfonylazepane has a molecular weight of 347.48 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxynaphthalen-1-yl)sulfonylazepane is sourced from PubChem (CID 53384704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).