N-methyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine

C12H22N4O2S — CID 107380534

IUPACN-methyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
SMILESCC(C)NCc1cnc(N(C)CCS(C)(=O)=O)cn1
InChIInChI=1S/C12H22N4O2S/c1-10(2)13-7-11-8-15-12(9-14-11)16(3)5-6-19(4,17)18/h8-10,13H,5-7H2,1-4H3
InChIKeyBDLQEEVWRVKLLP-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.46
Rot. Bonds7

About N-methyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine

N-methyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine (PubChem CID 107380534) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
PubChem CID107380534
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-methyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
SMILESCC(C)NCc1cnc(N(C)CCS(C)(=O)=O)cn1
InChIInChI=1S/C12H22N4O2S/c1-10(2)13-7-11-8-15-12(9-14-11)16(3)5-6-19(4,17)18/h8-10,13H,5-7H2,1-4H3
InChIKeyBDLQEEVWRVKLLP-UHFFFAOYSA-N
XLogP0.46
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,3-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80635331
N,2-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81247335
N-methyl-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379212
N-ethyl-5-[(propan-2-ylamino)methyl]-N-propylpyrazin-2-amine
CID 107379089
N,N-bis(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379342
N-cyclopentyl-N-methyl-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379057
N-methyl-5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)pyrazin-2-amine
CID 107379230
N-methyl-5-(methylaminomethyl)-N-(3-methylbutyl)pyrazin-2-amine
CID 107379708
N-ethyl-N-(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379098
N-methyl-5-[(propan-2-ylamino)methyl]-N-(1-thiophen-2-ylethyl)pyrazin-2-amine
CID 107379415
6-chloro-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 79864794
[6-[methyl(2-methylsulfonylethyl)amino]-3-pyridinyl]methanol
CID 79849577

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine?
The IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine (CID 107380534) is N-methyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine.
What is the SMILES notation for N-methyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine?
The canonical SMILES for N-methyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine is CC(C)NCc1cnc(N(C)CCS(C)(=O)=O)cn1.
What is the InChIKey of N-methyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine?
The InChIKey is BDLQEEVWRVKLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-10(2)13-7-11-8-15-12(9-14-11)16(3)5-6-19(4,17)18/h8-10,13H,5-7H2,1-4H3.
What are the key properties of N-methyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine?
N-methyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine has a molecular weight of 286.40 g/mol, XLogP of 0.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine is sourced from PubChem (CID 107380534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).