tert-butyl N-(1H-indol-3-ylsulfonyl)carbamate

C13H16N2O4S — CID 86620846

IUPACtert-butyl N-(1H-indol-3-ylsulfonyl)carbamate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H16N2O4S/c1-13(2,3)19-12(16)15-20(17,18)11-8-14-10-7-5-4-6-9(10)11/h4-8,14H,1-3H3,(H,15,16)
InChIKeyUNOZCNFVMJANMI-UHFFFAOYSA-N
MW296.35 g/mol
LogP2.38
Rot. Bonds2

About tert-butyl N-(1H-indol-3-ylsulfonyl)carbamate

tert-butyl N-(1H-indol-3-ylsulfonyl)carbamate (PubChem CID 86620846) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is tert-butyl N-(1H-indol-3-ylsulfonyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1H-indol-3-ylsulfonyl)carbamate
PubChem CID86620846
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Nametert-butyl N-(1H-indol-3-ylsulfonyl)carbamate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H16N2O4S/c1-13(2,3)19-12(16)15-20(17,18)11-8-14-10-7-5-4-6-9(10)11/h4-8,14H,1-3H3,(H,15,16)
InChIKeyUNOZCNFVMJANMI-UHFFFAOYSA-N
XLogP2.38
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indole-3-sulfonohydrazide
CID 82284140
tert-butyl N-[(1S)-1-(1H-indol-3-yl)ethyl]carbamate
CID 102157867
N-chloro-1H-indole-3-sulfonamide
CID 90719858
2-(1H-indol-3-ylsulfonylamino)propanoic acid
CID 82487562
2-acetamido-N-(1H-indol-3-ylsulfonyl)-4-methylpentanamide
CID 167936324
3-methylsulfonyl-1H-indole
CID 86767790
tert-butyl N-[1-(benzenesulfonyl)indol-3-yl]sulfonylcarbamate
CID 163284603
tert-butyl N-[(2S)-2-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 153378658
tert-butyl N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 20744818
4,4-difluoro-3-(1H-indol-3-ylsulfonylamino)-3-methylbutanoic acid
CID 166289280
3-(1H-indol-3-ylsulfonyl)-2,2-dimethylpropan-1-ol
CID 116853109
tert-butyl N-[1-(1H-indol-3-yl)-3-phenylpropan-2-yl]carbamate
CID 153378625

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1H-indol-3-ylsulfonyl)carbamate?
The IUPAC name of tert-butyl N-(1H-indol-3-ylsulfonyl)carbamate (CID 86620846) is tert-butyl N-(1H-indol-3-ylsulfonyl)carbamate.
What is the SMILES notation for tert-butyl N-(1H-indol-3-ylsulfonyl)carbamate?
The canonical SMILES for tert-butyl N-(1H-indol-3-ylsulfonyl)carbamate is CC(C)(C)OC(=O)NS(=O)(=O)c1c[nH]c2ccccc12.
What is the InChIKey of tert-butyl N-(1H-indol-3-ylsulfonyl)carbamate?
The InChIKey is UNOZCNFVMJANMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-13(2,3)19-12(16)15-20(17,18)11-8-14-10-7-5-4-6-9(10)11/h4-8,14H,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-(1H-indol-3-ylsulfonyl)carbamate?
tert-butyl N-(1H-indol-3-ylsulfonyl)carbamate has a molecular weight of 296.35 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1H-indol-3-ylsulfonyl)carbamate is sourced from PubChem (CID 86620846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).