N-[(2S)-7-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl]-1-phenylmethanesulfonamide

C19H29NO2S — CID 122499363

IUPACN-[(2S)-7-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl]-1-phenylmethanesulfonamide
SMILESCCC1CC2CC[C@](C)(NS(=O)(=O)Cc3ccccc3)C(C1)C2
InChIInChI=1S/C19H29NO2S/c1-3-15-11-17-9-10-19(2,18(12-15)13-17)20-23(21,22)14-16-7-5-4-6-8-16/h4-8,15,17-18,20H,3,9-14H2,1-2H3/t15?,17?,18?,19-/m0/s1
InChIKeyPHFCDBJLERFMPR-LWRKGQLUSA-N
MW335.51 g/mol
LogP4.10
Rot. Bonds5

About N-[(2S)-7-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl]-1-phenylmethanesulfonamide

N-[(2S)-7-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl]-1-phenylmethanesulfonamide (PubChem CID 122499363) has the molecular formula C19H29NO2S and a molecular weight of 335.51 g/mol. Its IUPAC name is N-[(2S)-7-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-7-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl]-1-phenylmethanesulfonamide
PubChem CID122499363
Molecular FormulaC19H29NO2S
Molecular Weight335.51 g/mol
Exact Mass335.19
IUPAC NameN-[(2S)-7-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl]-1-phenylmethanesulfonamide
SMILESCCC1CC2CC[C@](C)(NS(=O)(=O)Cc3ccccc3)C(C1)C2
InChIInChI=1S/C19H29NO2S/c1-3-15-11-17-9-10-19(2,18(12-15)13-17)20-23(21,22)14-16-7-5-4-6-8-16/h4-8,15,17-18,20H,3,9-14H2,1-2H3/t15?,17?,18?,19-/m0/s1
InChIKeyPHFCDBJLERFMPR-LWRKGQLUSA-N
XLogP4.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.51
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-7-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(2S)-7-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl]-1-phenylmethanesulfonamide (CID 122499363) is N-[(2S)-7-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(2S)-7-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(2S)-7-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl]-1-phenylmethanesulfonamide is CCC1CC2CC[C@](C)(NS(=O)(=O)Cc3ccccc3)C(C1)C2.
What is the InChIKey of N-[(2S)-7-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl]-1-phenylmethanesulfonamide?
The InChIKey is PHFCDBJLERFMPR-LWRKGQLUSA-N. The full InChI is InChI=1S/C19H29NO2S/c1-3-15-11-17-9-10-19(2,18(12-15)13-17)20-23(21,22)14-16-7-5-4-6-8-16/h4-8,15,17-18,20H,3,9-14H2,1-2H3/t15?,17?,18?,19-/m0/s1.
What are the key properties of N-[(2S)-7-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl]-1-phenylmethanesulfonamide?
N-[(2S)-7-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl]-1-phenylmethanesulfonamide has a molecular weight of 335.51 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-7-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 122499363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).