5-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazine-2-carboxamide

C11H14ClN3OS — CID 107329698

IUPAC5-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazine-2-carboxamide
SMILESCSC1(CNC(=O)c2cnc(Cl)cn2)CCC1
InChIInChI=1S/C11H14ClN3OS/c1-17-11(3-2-4-11)7-15-10(16)8-5-14-9(12)6-13-8/h5-6H,2-4,7H2,1H3,(H,15,16)
InChIKeyPTEDGCBMAWZOSX-UHFFFAOYSA-N
MW271.77 g/mol
LogP2.15
Rot. Bonds4

About 5-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazine-2-carboxamide

5-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazine-2-carboxamide (PubChem CID 107329698) has the molecular formula C11H14ClN3OS and a molecular weight of 271.77 g/mol. Its IUPAC name is 5-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazine-2-carboxamide
PubChem CID107329698
Molecular FormulaC11H14ClN3OS
Molecular Weight271.77 g/mol
Exact Mass271.05
IUPAC Name5-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazine-2-carboxamide
SMILESCSC1(CNC(=O)c2cnc(Cl)cn2)CCC1
InChIInChI=1S/C11H14ClN3OS/c1-17-11(3-2-4-11)7-15-10(16)8-5-14-9(12)6-13-8/h5-6H,2-4,7H2,1H3,(H,15,16)
InChIKeyPTEDGCBMAWZOSX-UHFFFAOYSA-N
XLogP2.15
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(1-ethylcyclopropyl)methyl]pyrazine-2-carboxamide
CID 107257972
5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 107372076
5-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 107257902
2,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide
CID 107271725
5,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-carboxamide
CID 107271693
N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
CID 107271732
6-methyl-5-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 146108167
4-(chloromethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide
CID 114115852
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate
CID 103817109
N-butyl-5-chloropyrazine-2-carboxamide
CID 103803228
5-chloro-N-(cyclohexylmethyl)pyrazine-2-carboxamide
CID 107236593
5-chloro-N-[2-oxo-2-(propylamino)ethyl]pyrazine-2-carboxamide
CID 103803259

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazine-2-carboxamide (CID 107329698) is 5-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazine-2-carboxamide is CSC1(CNC(=O)c2cnc(Cl)cn2)CCC1.
What is the InChIKey of 5-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazine-2-carboxamide?
The InChIKey is PTEDGCBMAWZOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3OS/c1-17-11(3-2-4-11)7-15-10(16)8-5-14-9(12)6-13-8/h5-6H,2-4,7H2,1H3,(H,15,16).
What are the key properties of 5-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazine-2-carboxamide?
5-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazine-2-carboxamide has a molecular weight of 271.77 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 107329698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).