tert-butyl 2-(methanesulfonamido)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridine-1-carboxylate

C18H26N2O4S — CID 150525384

IUPACtert-butyl 2-(methanesulfonamido)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(NS(C)(=O)=O)CCC2c3ccccc3CC21
InChIInChI=1S/C18H26N2O4S/c1-18(2,3)24-17(21)20-15-11-12-7-5-6-8-13(12)14(15)9-10-16(20)19-25(4,22)23/h5-8,14-16,19H,9-11H2,1-4H3
InChIKeyICRXNFYPWFBSKH-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.60
Rot. Bonds2

About tert-butyl 2-(methanesulfonamido)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridine-1-carboxylate

tert-butyl 2-(methanesulfonamido)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridine-1-carboxylate (PubChem CID 150525384) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is tert-butyl 2-(methanesulfonamido)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(methanesulfonamido)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridine-1-carboxylate
PubChem CID150525384
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Nametert-butyl 2-(methanesulfonamido)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(NS(C)(=O)=O)CCC2c3ccccc3CC21
InChIInChI=1S/C18H26N2O4S/c1-18(2,3)24-17(21)20-15-11-12-7-5-6-8-13(12)14(15)9-10-16(20)19-25(4,22)23/h5-8,14-16,19H,9-11H2,1-4H3
InChIKeyICRXNFYPWFBSKH-UHFFFAOYSA-N
XLogP2.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-(methanesulfonamido)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 2-hydroxy-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]pyrrole-3-carboxylate
CID 156508831
tert-butyl (1aS,6aR)-6,6a-dihydro-1aH-indeno[1,2-b]azirine-1-carboxylate
CID 89059424
N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 95318308
(3R)-2-methyl-1-[(2R,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpyrrolidin-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 67874138
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 103684490
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 103684497
tert-butyl (4aR,9aS)-7-(methanesulfonamido)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridine-1-carboxylate
CID 58294516
tert-butyl 7-(methanesulfonamido)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridine-1-carboxylate
CID 67223390
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanesulfonamide
CID 130687139
tert-butyl 9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate
CID 71188473
3,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-2-one;tert-butyl 2-oxo-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrole-1-carboxylate
CID 159996731
tert-butyl (1R,2S,5S)-2-(2-hydroxypropan-2-yl)-4-oxo-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 169315705

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(methanesulfonamido)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridine-1-carboxylate?
The IUPAC name of tert-butyl 2-(methanesulfonamido)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridine-1-carboxylate (CID 150525384) is tert-butyl 2-(methanesulfonamido)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(methanesulfonamido)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(methanesulfonamido)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridine-1-carboxylate is CC(C)(C)OC(=O)N1C(NS(C)(=O)=O)CCC2c3ccccc3CC21.
What is the InChIKey of tert-butyl 2-(methanesulfonamido)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridine-1-carboxylate?
The InChIKey is ICRXNFYPWFBSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-18(2,3)24-17(21)20-15-11-12-7-5-6-8-13(12)14(15)9-10-16(20)19-25(4,22)23/h5-8,14-16,19H,9-11H2,1-4H3.
What are the key properties of tert-butyl 2-(methanesulfonamido)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridine-1-carboxylate?
tert-butyl 2-(methanesulfonamido)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridine-1-carboxylate has a molecular weight of 366.48 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(methanesulfonamido)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridine-1-carboxylate is sourced from PubChem (CID 150525384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).