1-[(4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(thiophen-2-ylmethyl)methanesulfonamide

C15H21NO3S2 — CID 74224777

IUPAC1-[(4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(thiophen-2-ylmethyl)methanesulfonamide
SMILESCC1(C)[C@H]2CCC1(CS(=O)(=O)NCc1cccs1)C(=O)C2
InChIInChI=1S/C15H21NO3S2/c1-14(2)11-5-6-15(14,13(17)8-11)10-21(18,19)16-9-12-4-3-7-20-12/h3-4,7,11,16H,5-6,8-10H2,1-2H3/t11-,15?/m0/s1
InChIKeySMCLQQCYKFXBOX-VPHXOMNUSA-N
MW327.47 g/mol
LogP2.56
Rot. Bonds5

About 1-[(4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(thiophen-2-ylmethyl)methanesulfonamide

1-[(4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(thiophen-2-ylmethyl)methanesulfonamide (PubChem CID 74224777) has the molecular formula C15H21NO3S2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 1-[(4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(thiophen-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-[(4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(thiophen-2-ylmethyl)methanesulfonamide
PubChem CID74224777
Molecular FormulaC15H21NO3S2
Molecular Weight327.47 g/mol
Exact Mass327.10
IUPAC Name1-[(4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(thiophen-2-ylmethyl)methanesulfonamide
SMILESCC1(C)[C@H]2CCC1(CS(=O)(=O)NCc1cccs1)C(=O)C2
InChIInChI=1S/C15H21NO3S2/c1-14(2)11-5-6-15(14,13(17)8-11)10-21(18,19)16-9-12-4-3-7-20-12/h3-4,7,11,16H,5-6,8-10H2,1-2H3/t11-,15?/m0/s1
InChIKeySMCLQQCYKFXBOX-VPHXOMNUSA-N
XLogP2.56
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(thiophen-2-ylmethyl)methanesulfonamide with MolForge

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Related Compounds

1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 164642997
1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide
CID 7222198
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide
CID 75413715
1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(2-pyridin-4-ylethyl)methanesulfonamide
CID 124631888
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(thiolan-3-ylmethyl)methanesulfonamide
CID 170691522
2-[[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]acetic acid
CID 98219170
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanesulfonamide
CID 90564004
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide
CID 90628117
1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 98862652
N-[2-(4-chlorophenyl)ethyl]-1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 2422576
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)methanesulfonamide
CID 72717888
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-ethylphenyl)methanesulfonamide
CID 5268681

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(thiophen-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1-[(4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(thiophen-2-ylmethyl)methanesulfonamide (CID 74224777) is 1-[(4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(thiophen-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-[(4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(thiophen-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-[(4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(thiophen-2-ylmethyl)methanesulfonamide is CC1(C)[C@H]2CCC1(CS(=O)(=O)NCc1cccs1)C(=O)C2.
What is the InChIKey of 1-[(4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(thiophen-2-ylmethyl)methanesulfonamide?
The InChIKey is SMCLQQCYKFXBOX-VPHXOMNUSA-N. The full InChI is InChI=1S/C15H21NO3S2/c1-14(2)11-5-6-15(14,13(17)8-11)10-21(18,19)16-9-12-4-3-7-20-12/h3-4,7,11,16H,5-6,8-10H2,1-2H3/t11-,15?/m0/s1.
What are the key properties of 1-[(4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(thiophen-2-ylmethyl)methanesulfonamide?
1-[(4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(thiophen-2-ylmethyl)methanesulfonamide has a molecular weight of 327.47 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(thiophen-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 74224777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).