3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine

C19H26N4O2S — CID 23577246

IUPAC3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine
SMILESCc1nccnc1NCC1CCN(S(=O)(=O)CCc2ccccc2)CC1
InChIInChI=1S/C19H26N4O2S/c1-16-19(21-11-10-20-16)22-15-18-7-12-23(13-8-18)26(24,25)14-9-17-5-3-2-4-6-17/h2-6,10-11,18H,7-9,12-15H2,1H3,(H,21,22)
InChIKeyAWXAYVJIWODHCH-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.48
Rot. Bonds7

About 3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine

3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine (PubChem CID 23577246) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine
PubChem CID23577246
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine
SMILESCc1nccnc1NCC1CCN(S(=O)(=O)CCc2ccccc2)CC1
InChIInChI=1S/C19H26N4O2S/c1-16-19(21-11-10-20-16)22-15-18-7-12-23(13-8-18)26(24,25)14-9-17-5-3-2-4-6-17/h2-6,10-11,18H,7-9,12-15H2,1H3,(H,21,22)
InChIKeyAWXAYVJIWODHCH-UHFFFAOYSA-N
XLogP2.48
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine
CID 23577294
1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959095
N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide
CID 58933781
3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazin-2-amine
CID 83065208
4-(2-bromoethoxy)-1-(2-phenylethylsulfonyl)piperidine
CID 82689124
3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine
CID 110749816
[1-[2-(4-fluorophenyl)ethylsulfonyl]piperidin-4-yl]methylcarbamic acid
CID 141057193
N-[[(1S,5R)-8-(2-phenylethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyrimidin-2-amine
CID 69414535
N-[(4-aminocyclohexyl)methyl]-3-methylpyrazin-2-amine
CID 106129158
N-[1-(2-phenylethylsulfonyl)azetidin-3-yl]pyrimidin-2-amine
CID 121187620
methyl 4-(2-phenylethylsulfonyl)piperazine-1-carboxylate
CID 110818523
3-methyl-N-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine
CID 22135575

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine?
The IUPAC name of 3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine (CID 23577246) is 3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for 3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine?
The canonical SMILES for 3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine is Cc1nccnc1NCC1CCN(S(=O)(=O)CCc2ccccc2)CC1.
What is the InChIKey of 3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine?
The InChIKey is AWXAYVJIWODHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-16-19(21-11-10-20-16)22-15-18-7-12-23(13-8-18)26(24,25)14-9-17-5-3-2-4-6-17/h2-6,10-11,18H,7-9,12-15H2,1H3,(H,21,22).
What are the key properties of 3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine?
3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine has a molecular weight of 374.51 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 23577246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).