[(2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] sulfamate

C10H19NO3S — CID 140741576

IUPAC[(2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] sulfamate
SMILESCC1(C)[C@H]2CCC1(C)[C@H](OS(N)(=O)=O)C2
InChIInChI=1S/C10H19NO3S/c1-9(2)7-4-5-10(9,3)8(6-7)14-15(11,12)13/h7-8H,4-6H2,1-3H3,(H2,11,12,13)/t7-,8+,10?/m0/s1
InChIKeyOITCWXSXONLGLW-VLCSVPMDSA-N
MW233.33 g/mol
LogP1.42
Rot. Bonds2

About [(2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] sulfamate

[(2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] sulfamate (PubChem CID 140741576) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is [(2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] sulfamate.

Molecular Properties

Compound Name[(2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] sulfamate
PubChem CID140741576
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name[(2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] sulfamate
SMILESCC1(C)[C@H]2CCC1(C)[C@H](OS(N)(=O)=O)C2
InChIInChI=1S/C10H19NO3S/c1-9(2)7-4-5-10(9,3)8(6-7)14-15(11,12)13/h7-8H,4-6H2,1-3H3,(H2,11,12,13)/t7-,8+,10?/m0/s1
InChIKeyOITCWXSXONLGLW-VLCSVPMDSA-N
XLogP1.42
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] sulfamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2S,4S)-1,7,7-trimethyl-2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]bicyclo[2.2.1]heptane
CID 101328279
(1R,2R,4R)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 12859587
(1S)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 59093744
[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] formate
CID 13428328
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
CID 66836214
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] hydrogen carbonate
CID 137480256
[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
CID 6950273
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoroacetate
CID 58225971
(1S,4R)-2-ethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 174997448
[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] cyclopropanecarboxylate
CID 140960699
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-sulfanylpropanoate
CID 107018949
dimethyl-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-trimethylsilylsilane
CID 554472

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] sulfamate?
The IUPAC name of [(2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] sulfamate (CID 140741576) is [(2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] sulfamate.
What is the SMILES notation for [(2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] sulfamate?
The canonical SMILES for [(2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] sulfamate is CC1(C)[C@H]2CCC1(C)[C@H](OS(N)(=O)=O)C2.
What is the InChIKey of [(2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] sulfamate?
The InChIKey is OITCWXSXONLGLW-VLCSVPMDSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-9(2)7-4-5-10(9,3)8(6-7)14-15(11,12)13/h7-8H,4-6H2,1-3H3,(H2,11,12,13)/t7-,8+,10?/m0/s1.
What are the key properties of [(2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] sulfamate?
[(2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] sulfamate has a molecular weight of 233.33 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] sulfamate is sourced from PubChem (CID 140741576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).