[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl N-methylcarbamate

C17H17N3O5S — CID 134346738

IUPAC[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1cn(S(=O)(=O)c2cccnc2)c2cc(CO)ccc12
InChIInChI=1S/C17H17N3O5S/c1-18-17(22)25-11-13-9-20(16-7-12(10-21)4-5-15(13)16)26(23,24)14-3-2-6-19-8-14/h2-9,21H,10-11H2,1H3,(H,18,22)
InChIKeyZPXDNUILXPNYKR-UHFFFAOYSA-N
MW375.41 g/mol
LogP1.62
Rot. Bonds5

About [6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl N-methylcarbamate

[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl N-methylcarbamate (PubChem CID 134346738) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is [6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl N-methylcarbamate
PubChem CID134346738
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC Name[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1cn(S(=O)(=O)c2cccnc2)c2cc(CO)ccc12
InChIInChI=1S/C17H17N3O5S/c1-18-17(22)25-11-13-9-20(16-7-12(10-21)4-5-15(13)16)26(23,24)14-3-2-6-19-8-14/h2-9,21H,10-11H2,1H3,(H,18,22)
InChIKeyZPXDNUILXPNYKR-UHFFFAOYSA-N
XLogP1.62
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl N-[[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl]carbamate
CID 174792232
2-[6-(bromomethyl)-1-pyridin-3-ylsulfonylindol-3-yl]ethyl carbamate
CID 175317176
3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine;hydrochloride
CID 142724812
6-(bromomethyl)-3-methyl-1-pyridin-3-ylsulfonylindole
CID 174792264
N-[(4-methoxyphenyl)methyl]-3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine
CID 174792289
4-(3-propyl-1-pyridin-3-ylsulfonylindol-6-yl)aniline
CID 161364995
3-formyl-1-pyridin-3-ylsulfonylindole-6-carboxylic acid
CID 134346877
3-(5-pyridin-3-ylsulfonyl-[1,3]dioxolo[4,5-f]indol-7-yl)propanoic acid
CID 58837923
[5-(2-fluoro-3-pyridinyl)-1-(3-methoxyphenyl)sulfonylpyrrol-3-yl]methyl N-methylcarbamate
CID 140530795
6-(6-fluoro-3-pyridinyl)-1-pyridin-3-ylsulfonylindole-3-carboxylic acid
CID 134346754
2-[1-(3-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-3-yl]ethyl carbamate
CID 69182901
(5-bromo-1-pyridin-3-ylsulfonylpyrrol-3-yl)methyl-(2,2-dimethylpropyl)carbamic acid
CID 66924992

Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl N-methylcarbamate?
The IUPAC name of [6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl N-methylcarbamate (CID 134346738) is [6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl N-methylcarbamate.
What is the SMILES notation for [6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl N-methylcarbamate?
The canonical SMILES for [6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl N-methylcarbamate is CNC(=O)OCc1cn(S(=O)(=O)c2cccnc2)c2cc(CO)ccc12.
What is the InChIKey of [6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl N-methylcarbamate?
The InChIKey is ZPXDNUILXPNYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-18-17(22)25-11-13-9-20(16-7-12(10-21)4-5-15(13)16)26(23,24)14-3-2-6-19-8-14/h2-9,21H,10-11H2,1H3,(H,18,22).
What are the key properties of [6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl N-methylcarbamate?
[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl N-methylcarbamate has a molecular weight of 375.41 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl N-methylcarbamate is sourced from PubChem (CID 134346738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).