5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide

C16H25N5O4S — CID 109277491

IUPAC5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
SMILESCN(c1cnc(C(=O)NCCN2CCOCC2)cn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H25N5O4S/c1-20(13-2-9-26(23,24)12-13)15-11-18-14(10-19-15)16(22)17-3-4-21-5-7-25-8-6-21/h10-11,13H,2-9,12H2,1H3,(H,17,22)
InChIKeyVRQNXPZLCHANPW-UHFFFAOYSA-N
MW383.47 g/mol
LogP-0.84
Rot. Bonds6

About 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide

5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide (PubChem CID 109277491) has the molecular formula C16H25N5O4S and a molecular weight of 383.47 g/mol. Its IUPAC name is 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
PubChem CID109277491
Molecular FormulaC16H25N5O4S
Molecular Weight383.47 g/mol
Exact Mass383.16
IUPAC Name5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
SMILESCN(c1cnc(C(=O)NCCN2CCOCC2)cn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H25N5O4S/c1-20(13-2-9-26(23,24)12-13)15-11-18-14(10-19-15)16(22)17-3-4-21-5-7-25-8-6-21/h10-11,13H,2-9,12H2,1H3,(H,17,22)
InChIKeyVRQNXPZLCHANPW-UHFFFAOYSA-N
XLogP-0.84
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271203
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282934
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344443
5-(methylamino)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 107374273
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
CID 109285416
5-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 109275191
5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 109275699
N-(2-morpholin-4-ylethyl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide
CID 109277458
[5-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109285397
N-(2-morpholin-4-ylethyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273701
5-[butyl(methyl)amino]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109185688
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183862

Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide (CID 109277491) is 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide is CN(c1cnc(C(=O)NCCN2CCOCC2)cn1)C1CCS(=O)(=O)C1.
What is the InChIKey of 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide?
The InChIKey is VRQNXPZLCHANPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O4S/c1-20(13-2-9-26(23,24)12-13)15-11-18-14(10-19-15)16(22)17-3-4-21-5-7-25-8-6-21/h10-11,13H,2-9,12H2,1H3,(H,17,22).
What are the key properties of 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide?
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide has a molecular weight of 383.47 g/mol, XLogP of -0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109277491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).