(1-cyclohexyl-4-methylpentan-2-yl) sulfamate

C12H25NO3S — CID 121011760

IUPAC(1-cyclohexyl-4-methylpentan-2-yl) sulfamate
SMILESCC(C)CC(CC1CCCCC1)OS(N)(=O)=O
InChIInChI=1S/C12H25NO3S/c1-10(2)8-12(16-17(13,14)15)9-11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3,(H2,13,14,15)
InChIKeyZMXFFBKNZPNGCF-UHFFFAOYSA-N
MW263.40 g/mol
LogP2.59
Rot. Bonds6

About (1-cyclohexyl-4-methylpentan-2-yl) sulfamate

(1-cyclohexyl-4-methylpentan-2-yl) sulfamate (PubChem CID 121011760) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is (1-cyclohexyl-4-methylpentan-2-yl) sulfamate.

Molecular Properties

Compound Name(1-cyclohexyl-4-methylpentan-2-yl) sulfamate
PubChem CID121011760
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name(1-cyclohexyl-4-methylpentan-2-yl) sulfamate
SMILESCC(C)CC(CC1CCCCC1)OS(N)(=O)=O
InChIInChI=1S/C12H25NO3S/c1-10(2)8-12(16-17(13,14)15)9-11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3,(H2,13,14,15)
InChIKeyZMXFFBKNZPNGCF-UHFFFAOYSA-N
XLogP2.59
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-4-methylpentan-2-yl) sulfamate?
The IUPAC name of (1-cyclohexyl-4-methylpentan-2-yl) sulfamate (CID 121011760) is (1-cyclohexyl-4-methylpentan-2-yl) sulfamate.
What is the SMILES notation for (1-cyclohexyl-4-methylpentan-2-yl) sulfamate?
The canonical SMILES for (1-cyclohexyl-4-methylpentan-2-yl) sulfamate is CC(C)CC(CC1CCCCC1)OS(N)(=O)=O.
What is the InChIKey of (1-cyclohexyl-4-methylpentan-2-yl) sulfamate?
The InChIKey is ZMXFFBKNZPNGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-10(2)8-12(16-17(13,14)15)9-11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3,(H2,13,14,15).
What are the key properties of (1-cyclohexyl-4-methylpentan-2-yl) sulfamate?
(1-cyclohexyl-4-methylpentan-2-yl) sulfamate has a molecular weight of 263.40 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-4-methylpentan-2-yl) sulfamate is sourced from PubChem (CID 121011760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).