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

C17H17N3O5S — CID 174792232

IUPACmethyl N-[[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl]carbamate
SMILESCOC(=O)NCc1cn(S(=O)(=O)c2cccnc2)c2cc(CO)ccc12
InChIInChI=1S/C17H17N3O5S/c1-25-17(22)19-8-13-10-20(16-7-12(11-21)4-5-15(13)16)26(23,24)14-3-2-6-18-9-14/h2-7,9-10,21H,8,11H2,1H3,(H,19,22)
InChIKeyMXMSHZDUIDOTTI-UHFFFAOYSA-N
MW375.41 g/mol
LogP1.62
Rot. Bonds5

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

methyl N-[[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl]carbamate (PubChem CID 174792232) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is methyl N-[[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl]carbamate
PubChem CID174792232
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC Namemethyl N-[[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl]carbamate
SMILESCOC(=O)NCc1cn(S(=O)(=O)c2cccnc2)c2cc(CO)ccc12
InChIInChI=1S/C17H17N3O5S/c1-25-17(22)19-8-13-10-20(16-7-12(11-21)4-5-15(13)16)26(23,24)14-3-2-6-18-9-14/h2-7,9-10,21H,8,11H2,1H3,(H,19,22)
InChIKeyMXMSHZDUIDOTTI-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

[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl N-methylcarbamate
CID 134346738
N-[(4-methoxyphenyl)methyl]-3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine
CID 174792289
3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine;hydrochloride
CID 142724812
2-[6-(bromomethyl)-1-pyridin-3-ylsulfonylindol-3-yl]ethyl carbamate
CID 175317176
6-(bromomethyl)-3-methyl-1-pyridin-3-ylsulfonylindole
CID 174792264
4-(3-propyl-1-pyridin-3-ylsulfonylindol-6-yl)aniline
CID 161364995
methyl N-[[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]methyl]carbamate
CID 11538315
3-(5-pyridin-3-ylsulfonyl-[1,3]dioxolo[4,5-f]indol-7-yl)propanoic acid
CID 58837923
3-formyl-1-pyridin-3-ylsulfonylindole-6-carboxylic acid
CID 134346877
[5-(4-methylsulfonylphenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylcarbamic acid
CID 67997227
6-(2-chloro-4-methoxyanilino)-N,N-dimethyl-1-pyridin-3-ylsulfonylindole-3-carboxamide
CID 122449442
6-(6-fluoro-3-pyridinyl)-1-pyridin-3-ylsulfonylindole-3-carboxylic acid
CID 134346754

Frequently Asked Questions

What is the IUPAC name of methyl N-[[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl]carbamate?
The IUPAC name of methyl N-[[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl]carbamate (CID 174792232) is methyl N-[[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl]carbamate.
What is the SMILES notation for methyl N-[[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl]carbamate?
The canonical SMILES for methyl N-[[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl]carbamate is COC(=O)NCc1cn(S(=O)(=O)c2cccnc2)c2cc(CO)ccc12.
What is the InChIKey of methyl N-[[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl]carbamate?
The InChIKey is MXMSHZDUIDOTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-25-17(22)19-8-13-10-20(16-7-12(11-21)4-5-15(13)16)26(23,24)14-3-2-6-18-9-14/h2-7,9-10,21H,8,11H2,1H3,(H,19,22).
What are the key properties of methyl N-[[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl]carbamate?
methyl N-[[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl]carbamate 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 methyl N-[[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl]carbamate is sourced from PubChem (CID 174792232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).