N-(3-methylsulfinylpropyl)pyrazin-2-amine

C8H13N3OS — CID 115631383

IUPACN-(3-methylsulfinylpropyl)pyrazin-2-amine
SMILESCS(=O)CCCNc1cnccn1
InChIInChI=1S/C8H13N3OS/c1-13(12)6-2-3-10-8-7-9-4-5-11-8/h4-5,7H,2-3,6H2,1H3,(H,10,11)
InChIKeyQCZRPCLZBVAGRQ-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.66
Rot. Bonds5

About N-(3-methylsulfinylpropyl)pyrazin-2-amine

N-(3-methylsulfinylpropyl)pyrazin-2-amine (PubChem CID 115631383) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is N-(3-methylsulfinylpropyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-(3-methylsulfinylpropyl)pyrazin-2-amine
PubChem CID115631383
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC NameN-(3-methylsulfinylpropyl)pyrazin-2-amine
SMILESCS(=O)CCCNc1cnccn1
InChIInChI=1S/C8H13N3OS/c1-13(12)6-2-3-10-8-7-9-4-5-11-8/h4-5,7H,2-3,6H2,1H3,(H,10,11)
InChIKeyQCZRPCLZBVAGRQ-UHFFFAOYSA-N
XLogP0.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylsulfonylethyl)pyrazin-2-amine
CID 60919263
N'-pyrazin-2-ylhexane-1,6-diamine
CID 107845150
6-(3-methylsulfinylpropylamino)pyridine-3-carboxamide
CID 115631413
N-methyl-2-(pyrazin-2-ylamino)ethanesulfonamide
CID 106337907
ethane;N-ethylpyrazin-2-amine
CID 145154365
N-(3-cyclopropylpropyl)pyrazin-2-amine
CID 115637555
N-but-3-ynylpyrazin-2-amine
CID 14086948
N-(2-pyridin-2-ylethyl)pyrazin-2-amine
CID 28544593
1-ethyl-3-[3-(pyrazin-2-ylamino)propyl]thiourea
CID 20557740
N-[4-[ethylamino(methyl)amino]butyl]pyrazin-2-amine
CID 165393511
2-(methylamino)-N-[2-(pyrazin-2-ylamino)ethyl]acetamide
CID 119851728
N-(3-pyrazol-1-ylpropyl)pyrazin-2-amine
CID 115580003

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfinylpropyl)pyrazin-2-amine?
The IUPAC name of N-(3-methylsulfinylpropyl)pyrazin-2-amine (CID 115631383) is N-(3-methylsulfinylpropyl)pyrazin-2-amine.
What is the SMILES notation for N-(3-methylsulfinylpropyl)pyrazin-2-amine?
The canonical SMILES for N-(3-methylsulfinylpropyl)pyrazin-2-amine is CS(=O)CCCNc1cnccn1.
What is the InChIKey of N-(3-methylsulfinylpropyl)pyrazin-2-amine?
The InChIKey is QCZRPCLZBVAGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-13(12)6-2-3-10-8-7-9-4-5-11-8/h4-5,7H,2-3,6H2,1H3,(H,10,11).
What are the key properties of N-(3-methylsulfinylpropyl)pyrazin-2-amine?
N-(3-methylsulfinylpropyl)pyrazin-2-amine has a molecular weight of 199.28 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfinylpropyl)pyrazin-2-amine is sourced from PubChem (CID 115631383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).