1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(oxolan-3-ylmethyl)-N-(thiolan-2-ylmethyl)methanesulfonamide

C20H33NO4S2 — CID 170691280

IUPAC1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(oxolan-3-ylmethyl)-N-(thiolan-2-ylmethyl)methanesulfonamide
SMILESCC1(C)C2CCC1(CS(=O)(=O)N(CC1CCOC1)CC1CCCS1)C(=O)C2
InChIInChI=1S/C20H33NO4S2/c1-19(2)16-5-7-20(19,18(22)10-16)14-27(23,24)21(11-15-6-8-25-13-15)12-17-4-3-9-26-17/h15-17H,3-14H2,1-2H3
InChIKeyVGBCOGIFRPWSAB-UHFFFAOYSA-N
MW415.62 g/mol
LogP2.95
Rot. Bonds7

About 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(oxolan-3-ylmethyl)-N-(thiolan-2-ylmethyl)methanesulfonamide

1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(oxolan-3-ylmethyl)-N-(thiolan-2-ylmethyl)methanesulfonamide (PubChem CID 170691280) has the molecular formula C20H33NO4S2 and a molecular weight of 415.62 g/mol. Its IUPAC name is 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(oxolan-3-ylmethyl)-N-(thiolan-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(oxolan-3-ylmethyl)-N-(thiolan-2-ylmethyl)methanesulfonamide
PubChem CID170691280
Molecular FormulaC20H33NO4S2
Molecular Weight415.62 g/mol
Exact Mass415.19
IUPAC Name1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(oxolan-3-ylmethyl)-N-(thiolan-2-ylmethyl)methanesulfonamide
SMILESCC1(C)C2CCC1(CS(=O)(=O)N(CC1CCOC1)CC1CCCS1)C(=O)C2
InChIInChI=1S/C20H33NO4S2/c1-19(2)16-5-7-20(19,18(22)10-16)14-27(23,24)21(11-15-6-8-25-13-15)12-17-4-3-9-26-17/h15-17H,3-14H2,1-2H3
InChIKeyVGBCOGIFRPWSAB-UHFFFAOYSA-N
XLogP2.95
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.62
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(oxolan-3-ylmethyl)-N-(thiolan-2-ylmethyl)methanesulfonamide 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 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(oxolan-3-ylmethyl)-N-(thiolan-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(oxolan-3-ylmethyl)-N-(thiolan-2-ylmethyl)methanesulfonamide (CID 170691280) is 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(oxolan-3-ylmethyl)-N-(thiolan-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(oxolan-3-ylmethyl)-N-(thiolan-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(oxolan-3-ylmethyl)-N-(thiolan-2-ylmethyl)methanesulfonamide is CC1(C)C2CCC1(CS(=O)(=O)N(CC1CCOC1)CC1CCCS1)C(=O)C2.
What is the InChIKey of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(oxolan-3-ylmethyl)-N-(thiolan-2-ylmethyl)methanesulfonamide?
The InChIKey is VGBCOGIFRPWSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO4S2/c1-19(2)16-5-7-20(19,18(22)10-16)14-27(23,24)21(11-15-6-8-25-13-15)12-17-4-3-9-26-17/h15-17H,3-14H2,1-2H3.
What are the key properties of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(oxolan-3-ylmethyl)-N-(thiolan-2-ylmethyl)methanesulfonamide?
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(oxolan-3-ylmethyl)-N-(thiolan-2-ylmethyl)methanesulfonamide has a molecular weight of 415.62 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(oxolan-3-ylmethyl)-N-(thiolan-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 170691280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).