5-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]pyrazine-2-carboxamide

C10H12ClN3O3S — CID 107258047

IUPAC5-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCC1CCCS1(=O)=O)c1cnc(Cl)cn1
InChIInChI=1S/C10H12ClN3O3S/c11-9-6-12-8(5-13-9)10(15)14-4-7-2-1-3-18(7,16)17/h5-7H,1-4H2,(H,14,15)
InChIKeySRPPZHMRKNUXFW-UHFFFAOYSA-N
MW289.74 g/mol
LogP0.44
Rot. Bonds3

About 5-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]pyrazine-2-carboxamide

5-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]pyrazine-2-carboxamide (PubChem CID 107258047) has the molecular formula C10H12ClN3O3S and a molecular weight of 289.74 g/mol. Its IUPAC name is 5-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]pyrazine-2-carboxamide
PubChem CID107258047
Molecular FormulaC10H12ClN3O3S
Molecular Weight289.74 g/mol
Exact Mass289.03
IUPAC Name5-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCC1CCCS1(=O)=O)c1cnc(Cl)cn1
InChIInChI=1S/C10H12ClN3O3S/c11-9-6-12-8(5-13-9)10(15)14-4-7-2-1-3-18(7,16)17/h5-7H,1-4H2,(H,14,15)
InChIKeySRPPZHMRKNUXFW-UHFFFAOYSA-N
XLogP0.44
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide
CID 81316604
5-chloro-N-(cyclohexylmethyl)pyrazine-2-carboxamide
CID 107236593
N-[(1,1-dioxothiolan-2-yl)methyl]-5-[(E)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide
CID 81042571
4-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide
CID 81040301
5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide
CID 103803729
2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-5-hydroxybenzamide
CID 106502019
3-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-4-hydroxybenzamide
CID 81040556
N-[(1,1-dioxothiolan-2-yl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 81041211
5-[(1,1-dioxothiolan-2-yl)methylamino]pyridine-2-carboxylic acid
CID 113321675
2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-4-carboxamide
CID 81039827
N-[(1,1-dioxothiolan-2-yl)methyl]-3-(methylamino)pyridine-4-carboxamide
CID 105070801
5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 81039815

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]pyrazine-2-carboxamide (CID 107258047) is 5-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]pyrazine-2-carboxamide is O=C(NCC1CCCS1(=O)=O)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is SRPPZHMRKNUXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3S/c11-9-6-12-8(5-13-9)10(15)14-4-7-2-1-3-18(7,16)17/h5-7H,1-4H2,(H,14,15).
What are the key properties of 5-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]pyrazine-2-carboxamide?
5-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 289.74 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 107258047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).