(1-cyclohexyl-3-phenylbutyl) sulfamate

C16H25NO3S — CID 177472282

IUPAC(1-cyclohexyl-3-phenylbutyl) sulfamate
SMILESCC(CC(OS(N)(=O)=O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C16H25NO3S/c1-13(14-8-4-2-5-9-14)12-16(20-21(17,18)19)15-10-6-3-7-11-15/h2,4-5,8-9,13,15-16H,3,6-7,10-12H2,1H3,(H2,17,18,19)
InChIKeyUBBGJGMSBWRWBZ-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.35
Rot. Bonds6

About (1-cyclohexyl-3-phenylbutyl) sulfamate

(1-cyclohexyl-3-phenylbutyl) sulfamate (PubChem CID 177472282) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is (1-cyclohexyl-3-phenylbutyl) sulfamate.

Molecular Properties

Compound Name(1-cyclohexyl-3-phenylbutyl) sulfamate
PubChem CID177472282
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name(1-cyclohexyl-3-phenylbutyl) sulfamate
SMILESCC(CC(OS(N)(=O)=O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C16H25NO3S/c1-13(14-8-4-2-5-9-14)12-16(20-21(17,18)19)15-10-6-3-7-11-15/h2,4-5,8-9,13,15-16H,3,6-7,10-12H2,1H3,(H2,17,18,19)
InChIKeyUBBGJGMSBWRWBZ-UHFFFAOYSA-N
XLogP3.35
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclohexylpentan-2-ylbenzene;ethane;methanol
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[(1R,3R)-1,3-dicyclohexyl-3-methylsulfonyloxypropyl] methanesulfonate
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[(1R,3S)-1-cyclohexyl-3-hydroxy-3-phenylpropyl] acetate
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1,1,1-trifluoro-4-phenylpentane-2-sulfonamide
CID 114827711
5-cyclohexylheptan-2-ylbenzene
CID 23597687
[(1S)-1-cyclopentylethyl]benzene
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[cyclohexyl(phenyl)methyl] 2-methylpropanoate;propane
CID 158475695
N-[(1R)-1-cyclohexylethyl]-3-phenylbutan-1-amine
CID 81384381
N-[cyclohexyl(phenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 61020638
N-cyclohexyl-2-(2-phenylpropylamino)propanamide
CID 115569785
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
1-cyclohexyl-N-(2-phenylpropyl)propan-1-amine
CID 63477318

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-3-phenylbutyl) sulfamate?
The IUPAC name of (1-cyclohexyl-3-phenylbutyl) sulfamate (CID 177472282) is (1-cyclohexyl-3-phenylbutyl) sulfamate.
What is the SMILES notation for (1-cyclohexyl-3-phenylbutyl) sulfamate?
The canonical SMILES for (1-cyclohexyl-3-phenylbutyl) sulfamate is CC(CC(OS(N)(=O)=O)C1CCCCC1)c1ccccc1.
What is the InChIKey of (1-cyclohexyl-3-phenylbutyl) sulfamate?
The InChIKey is UBBGJGMSBWRWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-13(14-8-4-2-5-9-14)12-16(20-21(17,18)19)15-10-6-3-7-11-15/h2,4-5,8-9,13,15-16H,3,6-7,10-12H2,1H3,(H2,17,18,19).
What are the key properties of (1-cyclohexyl-3-phenylbutyl) sulfamate?
(1-cyclohexyl-3-phenylbutyl) sulfamate has a molecular weight of 311.45 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-3-phenylbutyl) sulfamate is sourced from PubChem (CID 177472282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).