N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-methylpyrazine-2-carboxamide

C14H20N4O3S — CID 52872099

IUPACN-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCCC2)cn1
InChIInChI=1S/C14H20N4O3S/c1-10-6-16-11(7-15-10)14(19)17-12-8-22(20,21)9-13(12)18-4-2-3-5-18/h6-7,12-13H,2-5,8-9H2,1H3,(H,17,19)/t12-,13-/m0/s1
InChIKeyYDAPGAYEQUMCNY-STQMWFEESA-N
MW324.41 g/mol
LogP-0.22
Rot. Bonds3

About N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-methylpyrazine-2-carboxamide

N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-methylpyrazine-2-carboxamide (PubChem CID 52872099) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-methylpyrazine-2-carboxamide
PubChem CID52872099
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC NameN-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCCC2)cn1
InChIInChI=1S/C14H20N4O3S/c1-10-6-16-11(7-15-10)14(19)17-12-8-22(20,21)9-13(12)18-4-2-3-5-18/h6-7,12-13H,2-5,8-9H2,1H3,(H,17,19)/t12-,13-/m0/s1
InChIKeyYDAPGAYEQUMCNY-STQMWFEESA-N
XLogP-0.22
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-methylpyrazine-2-carboxamide (CID 52872099) is N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCCC2)cn1.
What is the InChIKey of N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-methylpyrazine-2-carboxamide?
The InChIKey is YDAPGAYEQUMCNY-STQMWFEESA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-10-6-16-11(7-15-10)14(19)17-12-8-22(20,21)9-13(12)18-4-2-3-5-18/h6-7,12-13H,2-5,8-9H2,1H3,(H,17,19)/t12-,13-/m0/s1.
What are the key properties of N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-methylpyrazine-2-carboxamide?
N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-methylpyrazine-2-carboxamide has a molecular weight of 324.41 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 52872099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).