2-(methanesulfonamido)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide

C13H24N2O3S — CID 47389054

IUPAC2-(methanesulfonamido)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)CNS(C)(=O)=O)C2
InChIInChI=1S/C13H24N2O3S/c1-12(2)9-5-6-13(12,3)10(7-9)15-11(16)8-14-19(4,17)18/h9-10,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyLXXRTLMGKPDJQB-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.87
Rot. Bonds4

About 2-(methanesulfonamido)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide

2-(methanesulfonamido)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 47389054) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 2-(methanesulfonamido)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID47389054
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name2-(methanesulfonamido)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)CNS(C)(=O)=O)C2
InChIInChI=1S/C13H24N2O3S/c1-12(2)9-5-6-13(12,3)10(7-9)15-11(16)8-14-19(4,17)18/h9-10,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyLXXRTLMGKPDJQB-UHFFFAOYSA-N
XLogP0.87
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 102074730
2-amino-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride
CID 119264698
4-oxo-4-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butanoic acid
CID 906419
dimethyl-[3-oxo-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propyl]azanium
CID 23350702
dimethyl-[3-oxo-3-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propyl]azanium
CID 7376088
4-oxo-4-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butanoate
CID 40569957
3-(dimethylamino)-N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
CID 917528
3-(propan-2-ylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
CID 60853984
3-methyl-5-oxo-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanoic acid
CID 62963837
N'-ethoxy-N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanediamide
CID 50936438
N-methyl-2-[[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide
CID 103951928
3-propan-2-yloxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
CID 71942366

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of 2-(methanesulfonamido)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (CID 47389054) is 2-(methanesulfonamido)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for 2-(methanesulfonamido)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for 2-(methanesulfonamido)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is CC1(C)C2CCC1(C)C(NC(=O)CNS(C)(=O)=O)C2.
What is the InChIKey of 2-(methanesulfonamido)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is LXXRTLMGKPDJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-12(2)9-5-6-13(12,3)10(7-9)15-11(16)8-14-19(4,17)18/h9-10,14H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 2-(methanesulfonamido)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
2-(methanesulfonamido)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 288.41 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 47389054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).