N-[(3R,6S)-2-methyl-6-tetracyclo[4.3.1.14,8.01,3]undecanyl]methanesulfonamide

C13H21NO2S — CID 70846293

IUPACN-[(3R,6S)-2-methyl-6-tetracyclo[4.3.1.14,8.01,3]undecanyl]methanesulfonamide
SMILESCC1[C@H]2C3CC4CC12C[C@](NS(C)(=O)=O)(C4)C3
InChIInChI=1S/C13H21NO2S/c1-8-11-10-3-9-4-12(6-10,14-17(2,15)16)7-13(8,11)5-9/h8-11,14H,3-7H2,1-2H3/t8?,9?,10?,11-,12-,13?/m0/s1
InChIKeyUYSZYYUHESGUCY-CFRCMTSWSA-N
MW255.38 g/mol
LogP1.75
Rot. Bonds2

About N-[(3R,6S)-2-methyl-6-tetracyclo[4.3.1.14,8.01,3]undecanyl]methanesulfonamide

N-[(3R,6S)-2-methyl-6-tetracyclo[4.3.1.14,8.01,3]undecanyl]methanesulfonamide (PubChem CID 70846293) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-[(3R,6S)-2-methyl-6-tetracyclo[4.3.1.14,8.01,3]undecanyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R,6S)-2-methyl-6-tetracyclo[4.3.1.14,8.01,3]undecanyl]methanesulfonamide
PubChem CID70846293
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-[(3R,6S)-2-methyl-6-tetracyclo[4.3.1.14,8.01,3]undecanyl]methanesulfonamide
SMILESCC1[C@H]2C3CC4CC12C[C@](NS(C)(=O)=O)(C4)C3
InChIInChI=1S/C13H21NO2S/c1-8-11-10-3-9-4-12(6-10,14-17(2,15)16)7-13(8,11)5-9/h8-11,14H,3-7H2,1-2H3/t8?,9?,10?,11-,12-,13?/m0/s1
InChIKeyUYSZYYUHESGUCY-CFRCMTSWSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 59495975
CID 59495975
CID 70846297
CID 70846297
CID 134204148
CID 134204148
CID 134204150
CID 134204150
CID 134204474
CID 134204474
CID 134204555
CID 134204555
CID 137482612
CID 137482612

Frequently Asked Questions

What is the IUPAC name of N-[(3R,6S)-2-methyl-6-tetracyclo[4.3.1.14,8.01,3]undecanyl]methanesulfonamide?
The IUPAC name of N-[(3R,6S)-2-methyl-6-tetracyclo[4.3.1.14,8.01,3]undecanyl]methanesulfonamide (CID 70846293) is N-[(3R,6S)-2-methyl-6-tetracyclo[4.3.1.14,8.01,3]undecanyl]methanesulfonamide.
What is the SMILES notation for N-[(3R,6S)-2-methyl-6-tetracyclo[4.3.1.14,8.01,3]undecanyl]methanesulfonamide?
The canonical SMILES for N-[(3R,6S)-2-methyl-6-tetracyclo[4.3.1.14,8.01,3]undecanyl]methanesulfonamide is CC1[C@H]2C3CC4CC12C[C@](NS(C)(=O)=O)(C4)C3.
What is the InChIKey of N-[(3R,6S)-2-methyl-6-tetracyclo[4.3.1.14,8.01,3]undecanyl]methanesulfonamide?
The InChIKey is UYSZYYUHESGUCY-CFRCMTSWSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-8-11-10-3-9-4-12(6-10,14-17(2,15)16)7-13(8,11)5-9/h8-11,14H,3-7H2,1-2H3/t8?,9?,10?,11-,12-,13?/m0/s1.
What are the key properties of N-[(3R,6S)-2-methyl-6-tetracyclo[4.3.1.14,8.01,3]undecanyl]methanesulfonamide?
N-[(3R,6S)-2-methyl-6-tetracyclo[4.3.1.14,8.01,3]undecanyl]methanesulfonamide has a molecular weight of 255.38 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,6S)-2-methyl-6-tetracyclo[4.3.1.14,8.01,3]undecanyl]methanesulfonamide is sourced from PubChem (CID 70846293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).