(3R,6S)-2-methyl-6-(sulfamoylamino)tetracyclo[4.3.1.14,8.01,3]undecane

C12H20N2O2S — CID 70846297

IUPAC(3R,6S)-2-methyl-6-(sulfamoylamino)tetracyclo[4.3.1.14,8.01,3]undecane
SMILESCC1[C@H]2C3CC4CC12C[C@](NS(N)(=O)=O)(C4)C3
InChIInChI=1S/C12H20N2O2S/c1-7-10-9-2-8-3-11(5-9,14-17(13,15)16)6-12(7,10)4-8/h7-10,14H,2-6H2,1H3,(H2,13,15,16)/t7?,8?,9?,10-,11-,12?/m0/s1
InChIKeyRBUDRVJCWPBFFP-HTUCNLJUSA-N
MW256.37 g/mol
LogP0.99
Rot. Bonds2

About (3R,6S)-2-methyl-6-(sulfamoylamino)tetracyclo[4.3.1.14,8.01,3]undecane

(3R,6S)-2-methyl-6-(sulfamoylamino)tetracyclo[4.3.1.14,8.01,3]undecane (PubChem CID 70846297) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is (3R,6S)-2-methyl-6-(sulfamoylamino)tetracyclo[4.3.1.14,8.01,3]undecane.

Molecular Properties

Compound Name(3R,6S)-2-methyl-6-(sulfamoylamino)tetracyclo[4.3.1.14,8.01,3]undecane
PubChem CID70846297
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name(3R,6S)-2-methyl-6-(sulfamoylamino)tetracyclo[4.3.1.14,8.01,3]undecane
SMILESCC1[C@H]2C3CC4CC12C[C@](NS(N)(=O)=O)(C4)C3
InChIInChI=1S/C12H20N2O2S/c1-7-10-9-2-8-3-11(5-9,14-17(13,15)16)6-12(7,10)4-8/h7-10,14H,2-6H2,1H3,(H2,13,15,16)/t7?,8?,9?,10-,11-,12?/m0/s1
InChIKeyRBUDRVJCWPBFFP-HTUCNLJUSA-N
XLogP0.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R,6S)-2-methyl-6-(sulfamoylamino)tetracyclo[4.3.1.14,8.01,3]undecane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-2-methyl-6-(sulfamoylamino)tetracyclo[4.3.1.14,8.01,3]undecane?
The IUPAC name of (3R,6S)-2-methyl-6-(sulfamoylamino)tetracyclo[4.3.1.14,8.01,3]undecane (CID 70846297) is (3R,6S)-2-methyl-6-(sulfamoylamino)tetracyclo[4.3.1.14,8.01,3]undecane.
What is the SMILES notation for (3R,6S)-2-methyl-6-(sulfamoylamino)tetracyclo[4.3.1.14,8.01,3]undecane?
The canonical SMILES for (3R,6S)-2-methyl-6-(sulfamoylamino)tetracyclo[4.3.1.14,8.01,3]undecane is CC1[C@H]2C3CC4CC12C[C@](NS(N)(=O)=O)(C4)C3.
What is the InChIKey of (3R,6S)-2-methyl-6-(sulfamoylamino)tetracyclo[4.3.1.14,8.01,3]undecane?
The InChIKey is RBUDRVJCWPBFFP-HTUCNLJUSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-7-10-9-2-8-3-11(5-9,14-17(13,15)16)6-12(7,10)4-8/h7-10,14H,2-6H2,1H3,(H2,13,15,16)/t7?,8?,9?,10-,11-,12?/m0/s1.
What are the key properties of (3R,6S)-2-methyl-6-(sulfamoylamino)tetracyclo[4.3.1.14,8.01,3]undecane?
(3R,6S)-2-methyl-6-(sulfamoylamino)tetracyclo[4.3.1.14,8.01,3]undecane has a molecular weight of 256.37 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-2-methyl-6-(sulfamoylamino)tetracyclo[4.3.1.14,8.01,3]undecane is sourced from PubChem (CID 70846297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).