3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine

C10H14ClN3S — CID 80735083

IUPAC3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine
SMILESCC1(CNc2nccnc2Cl)CCCS1
InChIInChI=1S/C10H14ClN3S/c1-10(3-2-6-15-10)7-14-9-8(11)12-4-5-13-9/h4-5H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyWCCHYDBRHQLSQF-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.83
Rot. Bonds3

About 3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine

3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine (PubChem CID 80735083) has the molecular formula C10H14ClN3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine
PubChem CID80735083
Molecular FormulaC10H14ClN3S
Molecular Weight243.76 g/mol
Exact Mass243.06
IUPAC Name3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine
SMILESCC1(CNc2nccnc2Cl)CCCS1
InChIInChI=1S/C10H14ClN3S/c1-10(3-2-6-15-10)7-14-9-8(11)12-4-5-13-9/h4-5H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyWCCHYDBRHQLSQF-UHFFFAOYSA-N
XLogP2.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine?
The IUPAC name of 3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine (CID 80735083) is 3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine is CC1(CNc2nccnc2Cl)CCCS1.
What is the InChIKey of 3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine?
The InChIKey is WCCHYDBRHQLSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3S/c1-10(3-2-6-15-10)7-14-9-8(11)12-4-5-13-9/h4-5H,2-3,6-7H2,1H3,(H,13,14).
What are the key properties of 3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine?
3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine has a molecular weight of 243.76 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 80735083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).