(1-methoxy-5-phenylpentan-3-yl) sulfamate

C12H19NO4S — CID 102287508

IUPAC(1-methoxy-5-phenylpentan-3-yl) sulfamate
SMILESCOCCC(CCc1ccccc1)OS(N)(=O)=O
InChIInChI=1S/C12H19NO4S/c1-16-10-9-12(17-18(13,14)15)8-7-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H2,13,14,15)
InChIKeySRPJEEBDSVWSHW-UHFFFAOYSA-N
MW273.35 g/mol
LogP1.24
Rot. Bonds8

About (1-methoxy-5-phenylpentan-3-yl) sulfamate

(1-methoxy-5-phenylpentan-3-yl) sulfamate (PubChem CID 102287508) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is (1-methoxy-5-phenylpentan-3-yl) sulfamate.

Molecular Properties

Compound Name(1-methoxy-5-phenylpentan-3-yl) sulfamate
PubChem CID102287508
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC Name(1-methoxy-5-phenylpentan-3-yl) sulfamate
SMILESCOCCC(CCc1ccccc1)OS(N)(=O)=O
InChIInChI=1S/C12H19NO4S/c1-16-10-9-12(17-18(13,14)15)8-7-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H2,13,14,15)
InChIKeySRPJEEBDSVWSHW-UHFFFAOYSA-N
XLogP1.24
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-methoxyethylbenzene
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3-amino-1-methoxy-7-phenylheptan-4-one
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potassium 2-ethyl-4-(2-methoxyethoxycarbonyl)-6-phenylhexanoate
CID 21053278
methyl (2R)-2-hydroxy-4-phenylbutanoate
CID 10878023
3-methoxypropyl (2S)-2-amino-4-phenylbutanoate
CID 104983520
2-(2-methoxyethoxy)ethylbenzene
CID 21135488
1,1,1-trifluoro-4-phenylbutane-2-sulfonamide
CID 114827612
(6-methoxy-1-phenylhexan-3-yl)hydrazine
CID 105205746
[4-methoxy-2-(2-methoxyethyl)butyl]benzene
CID 175035100
(4-methoxy-2-methylbutyl) 3-phenylpropanoate
CID 91702047
2-(2-methoxyethoxy)ethyl 3-phenylpropanoate
CID 70881793

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-5-phenylpentan-3-yl) sulfamate?
The IUPAC name of (1-methoxy-5-phenylpentan-3-yl) sulfamate (CID 102287508) is (1-methoxy-5-phenylpentan-3-yl) sulfamate.
What is the SMILES notation for (1-methoxy-5-phenylpentan-3-yl) sulfamate?
The canonical SMILES for (1-methoxy-5-phenylpentan-3-yl) sulfamate is COCCC(CCc1ccccc1)OS(N)(=O)=O.
What is the InChIKey of (1-methoxy-5-phenylpentan-3-yl) sulfamate?
The InChIKey is SRPJEEBDSVWSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-16-10-9-12(17-18(13,14)15)8-7-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H2,13,14,15).
What are the key properties of (1-methoxy-5-phenylpentan-3-yl) sulfamate?
(1-methoxy-5-phenylpentan-3-yl) sulfamate has a molecular weight of 273.35 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-5-phenylpentan-3-yl) sulfamate is sourced from PubChem (CID 102287508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).