(1R,3S,4S)-2-ethenylsulfonyl-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide

C10H16N2O3S — CID 167864246

IUPAC(1R,3S,4S)-2-ethenylsulfonyl-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESC=CS(=O)(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NC
InChIInChI=1S/C10H16N2O3S/c1-3-16(14,15)12-8-5-4-7(6-8)9(12)10(13)11-2/h3,7-9H,1,4-6H2,2H3,(H,11,13)/t7-,8+,9-/m0/s1
InChIKeyKVPIKUSDUIMWIH-YIZRAAEISA-N
MW244.32 g/mol
LogP0.06
Rot. Bonds3

About (1R,3S,4S)-2-ethenylsulfonyl-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide

(1R,3S,4S)-2-ethenylsulfonyl-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide (PubChem CID 167864246) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is (1R,3S,4S)-2-ethenylsulfonyl-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide.

Molecular Properties

Compound Name(1R,3S,4S)-2-ethenylsulfonyl-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
PubChem CID167864246
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name(1R,3S,4S)-2-ethenylsulfonyl-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESC=CS(=O)(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NC
InChIInChI=1S/C10H16N2O3S/c1-3-16(14,15)12-8-5-4-7(6-8)9(12)10(13)11-2/h3,7-9H,1,4-6H2,2H3,(H,11,13)/t7-,8+,9-/m0/s1
InChIKeyKVPIKUSDUIMWIH-YIZRAAEISA-N
XLogP0.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropanecarbonyl)-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 167777866
(1S,3S,4S)-N-cyclopentyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 124868789
(1S,3R)-2-(4-butoxyphenyl)sulfonyl-N-hydroxy-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 89372918
2-acetyl-N-(2-oxoethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 144871403
3-ethenyl-N-methylcyclopentane-1-carboxamide
CID 169181911
2-[(3,4,5-trimethoxyphenyl)sulfamoyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
CID 18613560
3-cyclopropyl-N-methylaziridine-2-carboxamide
CID 170982801
(3S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
CID 171056931
(1R,3S,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
CID 170196274
(1R,3S,4S)-2-(4-fluorophenyl)sulfonyl-N-[(Z)-2-(methylideneamino)-4-methylimino-4-[4-(trifluoromethyl)phenyl]but-2-enyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 146374948
2-azabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 18437279
(3S)-2-[hydroxy(methyl)boranyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
CID 59074761

Frequently Asked Questions

What is the IUPAC name of (1R,3S,4S)-2-ethenylsulfonyl-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The IUPAC name of (1R,3S,4S)-2-ethenylsulfonyl-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide (CID 167864246) is (1R,3S,4S)-2-ethenylsulfonyl-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide.
What is the SMILES notation for (1R,3S,4S)-2-ethenylsulfonyl-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The canonical SMILES for (1R,3S,4S)-2-ethenylsulfonyl-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide is C=CS(=O)(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NC.
What is the InChIKey of (1R,3S,4S)-2-ethenylsulfonyl-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The InChIKey is KVPIKUSDUIMWIH-YIZRAAEISA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-3-16(14,15)12-8-5-4-7(6-8)9(12)10(13)11-2/h3,7-9H,1,4-6H2,2H3,(H,11,13)/t7-,8+,9-/m0/s1.
What are the key properties of (1R,3S,4S)-2-ethenylsulfonyl-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
(1R,3S,4S)-2-ethenylsulfonyl-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide has a molecular weight of 244.32 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4S)-2-ethenylsulfonyl-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide is sourced from PubChem (CID 167864246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).