tert-butyl N-(5-methylsulfonyl-2,3-dihydro-1H-inden-2-yl)carbamate

C15H21NO4S — CID 154687251

IUPACtert-butyl N-(5-methylsulfonyl-2,3-dihydro-1H-inden-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1Cc2ccc(S(C)(=O)=O)cc2C1
InChIInChI=1S/C15H21NO4S/c1-15(2,3)20-14(17)16-12-7-10-5-6-13(21(4,18)19)9-11(10)8-12/h5-6,9,12H,7-8H2,1-4H3,(H,16,17)
InChIKeyRXFHVYOVQDWFTG-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.08
Rot. Bonds2

About tert-butyl N-(5-methylsulfonyl-2,3-dihydro-1H-inden-2-yl)carbamate

tert-butyl N-(5-methylsulfonyl-2,3-dihydro-1H-inden-2-yl)carbamate (PubChem CID 154687251) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is tert-butyl N-(5-methylsulfonyl-2,3-dihydro-1H-inden-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-methylsulfonyl-2,3-dihydro-1H-inden-2-yl)carbamate
PubChem CID154687251
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Nametert-butyl N-(5-methylsulfonyl-2,3-dihydro-1H-inden-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1Cc2ccc(S(C)(=O)=O)cc2C1
InChIInChI=1S/C15H21NO4S/c1-15(2,3)20-14(17)16-12-7-10-5-6-13(21(4,18)19)9-11(10)8-12/h5-6,9,12H,7-8H2,1-4H3,(H,16,17)
InChIKeyRXFHVYOVQDWFTG-UHFFFAOYSA-N
XLogP2.08
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
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tert-butyl N-[(1R,3S)-3-[[(4-methylsulfonylphenyl)sulfonylamino]methyl]cyclopentyl]carbamate
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tert-butyl N-(4-fluoro-5-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate
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tert-butyl N-(5-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)carbamate
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tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate
CID 107849928
ethyl 2-[[(6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]oxy]acetate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-methylsulfonyl-2,3-dihydro-1H-inden-2-yl)carbamate?
The IUPAC name of tert-butyl N-(5-methylsulfonyl-2,3-dihydro-1H-inden-2-yl)carbamate (CID 154687251) is tert-butyl N-(5-methylsulfonyl-2,3-dihydro-1H-inden-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-methylsulfonyl-2,3-dihydro-1H-inden-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-methylsulfonyl-2,3-dihydro-1H-inden-2-yl)carbamate is CC(C)(C)OC(=O)NC1Cc2ccc(S(C)(=O)=O)cc2C1.
What is the InChIKey of tert-butyl N-(5-methylsulfonyl-2,3-dihydro-1H-inden-2-yl)carbamate?
The InChIKey is RXFHVYOVQDWFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-15(2,3)20-14(17)16-12-7-10-5-6-13(21(4,18)19)9-11(10)8-12/h5-6,9,12H,7-8H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-(5-methylsulfonyl-2,3-dihydro-1H-inden-2-yl)carbamate?
tert-butyl N-(5-methylsulfonyl-2,3-dihydro-1H-inden-2-yl)carbamate has a molecular weight of 311.40 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-methylsulfonyl-2,3-dihydro-1H-inden-2-yl)carbamate is sourced from PubChem (CID 154687251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).