N-(1H-indol-5-ylmethyl)-4-methylpiperidine-1-sulfonamide

C15H21N3O2S — CID 169029487

IUPACN-(1H-indol-5-ylmethyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NCc2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C15H21N3O2S/c1-12-5-8-18(9-6-12)21(19,20)17-11-13-2-3-15-14(10-13)4-7-16-15/h2-4,7,10,12,16-17H,5-6,8-9,11H2,1H3
InChIKeyCLGGSVGGNSXDIX-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.23
Rot. Bonds4

About N-(1H-indol-5-ylmethyl)-4-methylpiperidine-1-sulfonamide

N-(1H-indol-5-ylmethyl)-4-methylpiperidine-1-sulfonamide (PubChem CID 169029487) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(1H-indol-5-ylmethyl)-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1H-indol-5-ylmethyl)-4-methylpiperidine-1-sulfonamide
PubChem CID169029487
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(1H-indol-5-ylmethyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NCc2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C15H21N3O2S/c1-12-5-8-18(9-6-12)21(19,20)17-11-13-2-3-15-14(10-13)4-7-16-15/h2-4,7,10,12,16-17H,5-6,8-9,11H2,1H3
InChIKeyCLGGSVGGNSXDIX-UHFFFAOYSA-N
XLogP2.23
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide
CID 106386114
5-[(4-methylpiperidin-1-yl)methyl]-1H-indole
CID 90949338
N-(1H-indol-5-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 102909363
4-[[[(3R)-3-methylpyrrolidin-1-yl]sulfonylamino]methyl]benzoic acid
CID 129466996
N-(1H-indol-5-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 102910344
N-(1H-indol-5-ylmethyl)cyclooctanamine
CID 102909214
5-(ethylsulfonylmethyl)-1H-indole
CID 67811404
N-(1H-indol-5-ylmethyl)pyridine-3-sulfonamide
CID 169029432
N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylpiperidine-1-sulfonamide
CID 43550340
5-(4-methylcyclohexyl)-1H-indole
CID 69051193
1-(1H-indol-5-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
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N-(1H-indol-6-ylmethyl)-2-(4-methylcyclohexyl)ethanamine
CID 102911023

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-ylmethyl)-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(1H-indol-5-ylmethyl)-4-methylpiperidine-1-sulfonamide (CID 169029487) is N-(1H-indol-5-ylmethyl)-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(1H-indol-5-ylmethyl)-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(1H-indol-5-ylmethyl)-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)NCc2ccc3[nH]ccc3c2)CC1.
What is the InChIKey of N-(1H-indol-5-ylmethyl)-4-methylpiperidine-1-sulfonamide?
The InChIKey is CLGGSVGGNSXDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-12-5-8-18(9-6-12)21(19,20)17-11-13-2-3-15-14(10-13)4-7-16-15/h2-4,7,10,12,16-17H,5-6,8-9,11H2,1H3.
What are the key properties of N-(1H-indol-5-ylmethyl)-4-methylpiperidine-1-sulfonamide?
N-(1H-indol-5-ylmethyl)-4-methylpiperidine-1-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-ylmethyl)-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 169029487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).