(3aR,7aR)-N-[5-(methylsulfamoyl)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide

C15H22N4O3S — CID 122150241

IUPAC(3aR,7aR)-N-[5-(methylsulfamoyl)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)N2CC[C@H]3CCCC[C@H]32)nc1
InChIInChI=1S/C15H22N4O3S/c1-16-23(21,22)12-6-7-14(17-10-12)18-15(20)19-9-8-11-4-2-3-5-13(11)19/h6-7,10-11,13,16H,2-5,8-9H2,1H3,(H,17,18,20)/t11-,13-/m1/s1
InChIKeyFUTANJKGHVPVEX-DGCLKSJQSA-N
MW338.43 g/mol
LogP1.79
Rot. Bonds3

About (3aR,7aR)-N-[5-(methylsulfamoyl)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide

(3aR,7aR)-N-[5-(methylsulfamoyl)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide (PubChem CID 122150241) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is (3aR,7aR)-N-[5-(methylsulfamoyl)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide.

Molecular Properties

Compound Name(3aR,7aR)-N-[5-(methylsulfamoyl)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
PubChem CID122150241
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name(3aR,7aR)-N-[5-(methylsulfamoyl)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)N2CC[C@H]3CCCC[C@H]32)nc1
InChIInChI=1S/C15H22N4O3S/c1-16-23(21,22)12-6-7-14(17-10-12)18-15(20)19-9-8-11-4-2-3-5-13(11)19/h6-7,10-11,13,16H,2-5,8-9H2,1H3,(H,17,18,20)/t11-,13-/m1/s1
InChIKeyFUTANJKGHVPVEX-DGCLKSJQSA-N
XLogP1.79
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3aR,7aR)-N-[5-(methylsulfamoyl)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide with MolForge

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Related Compounds

N-[5-(methylsulfamoyl)-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 128702391
2-cyclopentyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
CID 71939005
2-[(3-methoxyphenyl)methyl]-N-[5-(methylsulfamoyl)-2-pyridinyl]pyrrolidine-1-carboxamide
CID 139008637
(3aS,7aS)-N-(5,6-dimethylpyridazin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 128918379
2-cyclopentyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-1-carboxamide
CID 87035057
N-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 115599234
6-(cyclopent-3-en-1-ylamino)-N-methylpyridine-3-sulfonamide
CID 133362208
N-(4-methylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 43835525
(4aS,8aR)-N-(4-methylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 27055457
N-(thiadiazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 86807487
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-N-methylpyridin-2-amine
CID 65324662
1-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
CID 122090461

Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-N-[5-(methylsulfamoyl)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
The IUPAC name of (3aR,7aR)-N-[5-(methylsulfamoyl)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide (CID 122150241) is (3aR,7aR)-N-[5-(methylsulfamoyl)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide.
What is the SMILES notation for (3aR,7aR)-N-[5-(methylsulfamoyl)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
The canonical SMILES for (3aR,7aR)-N-[5-(methylsulfamoyl)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide is CNS(=O)(=O)c1ccc(NC(=O)N2CC[C@H]3CCCC[C@H]32)nc1.
What is the InChIKey of (3aR,7aR)-N-[5-(methylsulfamoyl)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
The InChIKey is FUTANJKGHVPVEX-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-16-23(21,22)12-6-7-14(17-10-12)18-15(20)19-9-8-11-4-2-3-5-13(11)19/h6-7,10-11,13,16H,2-5,8-9H2,1H3,(H,17,18,20)/t11-,13-/m1/s1.
What are the key properties of (3aR,7aR)-N-[5-(methylsulfamoyl)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
(3aR,7aR)-N-[5-(methylsulfamoyl)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-N-[5-(methylsulfamoyl)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide is sourced from PubChem (CID 122150241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).