N-[2-[[(5-pyrrol-1-ylpyrazin-2-yl)amino]methyl]cyclohexyl]methanesulfonamide

C16H23N5O2S — CID 167841546

IUPACN-[2-[[(5-pyrrol-1-ylpyrazin-2-yl)amino]methyl]cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCCC1CNc1cnc(-n2cccc2)cn1
InChIInChI=1S/C16H23N5O2S/c1-24(22,23)20-14-7-3-2-6-13(14)10-17-15-11-19-16(12-18-15)21-8-4-5-9-21/h4-5,8-9,11-14,20H,2-3,6-7,10H2,1H3,(H,17,18)
InChIKeyFVYJAEUUICOSBM-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.79
Rot. Bonds6

About N-[2-[[(5-pyrrol-1-ylpyrazin-2-yl)amino]methyl]cyclohexyl]methanesulfonamide

N-[2-[[(5-pyrrol-1-ylpyrazin-2-yl)amino]methyl]cyclohexyl]methanesulfonamide (PubChem CID 167841546) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[2-[[(5-pyrrol-1-ylpyrazin-2-yl)amino]methyl]cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[(5-pyrrol-1-ylpyrazin-2-yl)amino]methyl]cyclohexyl]methanesulfonamide
PubChem CID167841546
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC NameN-[2-[[(5-pyrrol-1-ylpyrazin-2-yl)amino]methyl]cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCCC1CNc1cnc(-n2cccc2)cn1
InChIInChI=1S/C16H23N5O2S/c1-24(22,23)20-14-7-3-2-6-13(14)10-17-15-11-19-16(12-18-15)21-8-4-5-9-21/h4-5,8-9,11-14,20H,2-3,6-7,10H2,1H3,(H,17,18)
InChIKeyFVYJAEUUICOSBM-UHFFFAOYSA-N
XLogP1.79
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(5-pyrrol-1-ylpyrazin-2-yl)amino]methyl]cyclohexyl]methanesulfonamide?
The IUPAC name of N-[2-[[(5-pyrrol-1-ylpyrazin-2-yl)amino]methyl]cyclohexyl]methanesulfonamide (CID 167841546) is N-[2-[[(5-pyrrol-1-ylpyrazin-2-yl)amino]methyl]cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[(5-pyrrol-1-ylpyrazin-2-yl)amino]methyl]cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[2-[[(5-pyrrol-1-ylpyrazin-2-yl)amino]methyl]cyclohexyl]methanesulfonamide is CS(=O)(=O)NC1CCCCC1CNc1cnc(-n2cccc2)cn1.
What is the InChIKey of N-[2-[[(5-pyrrol-1-ylpyrazin-2-yl)amino]methyl]cyclohexyl]methanesulfonamide?
The InChIKey is FVYJAEUUICOSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-24(22,23)20-14-7-3-2-6-13(14)10-17-15-11-19-16(12-18-15)21-8-4-5-9-21/h4-5,8-9,11-14,20H,2-3,6-7,10H2,1H3,(H,17,18).
What are the key properties of N-[2-[[(5-pyrrol-1-ylpyrazin-2-yl)amino]methyl]cyclohexyl]methanesulfonamide?
N-[2-[[(5-pyrrol-1-ylpyrazin-2-yl)amino]methyl]cyclohexyl]methanesulfonamide has a molecular weight of 349.46 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(5-pyrrol-1-ylpyrazin-2-yl)amino]methyl]cyclohexyl]methanesulfonamide is sourced from PubChem (CID 167841546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).