N-[(5-methylpyrazin-2-yl)methyl]thiomorpholine-3-carboxamide

C11H16N4OS — CID 82908850

IUPACN-[(5-methylpyrazin-2-yl)methyl]thiomorpholine-3-carboxamide
SMILESCc1cnc(CNC(=O)C2CSCCN2)cn1
InChIInChI=1S/C11H16N4OS/c1-8-4-14-9(5-13-8)6-15-11(16)10-7-17-3-2-12-10/h4-5,10,12H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyUJPONJTWIDAVDE-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.11
Rot. Bonds3

About N-[(5-methylpyrazin-2-yl)methyl]thiomorpholine-3-carboxamide

N-[(5-methylpyrazin-2-yl)methyl]thiomorpholine-3-carboxamide (PubChem CID 82908850) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]thiomorpholine-3-carboxamide
PubChem CID82908850
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]thiomorpholine-3-carboxamide
SMILESCc1cnc(CNC(=O)C2CSCCN2)cn1
InChIInChI=1S/C11H16N4OS/c1-8-4-14-9(5-13-8)6-15-11(16)10-7-17-3-2-12-10/h4-5,10,12H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyUJPONJTWIDAVDE-UHFFFAOYSA-N
XLogP0.11
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methylpyrimidin-4-yl)methyl]thiomorpholine-3-carboxamide
CID 82908468
4-ethyl-N-[(5-methylpyrazin-2-yl)methyl]piperidine-2-carboxamide
CID 114428953
N-(1H-imidazol-2-ylmethyl)thiomorpholine-3-carboxamide
CID 82916761
N-(6-methyl-3-pyridinyl)thiomorpholine-3-carboxamide
CID 82917928
N-(pyridin-3-ylmethyl)thiomorpholine-3-carboxamide
CID 82906473
N-[(6-methylpyridazin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110746243
N-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 63006041
N-[[4-(dimethylamino)phenyl]methyl]thiomorpholine-3-carboxamide
CID 82909258
N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 61016722
(4S)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 97014181
(5-methylpyrazin-2-yl)methylurea
CID 62845946
N-(4,6-dimethylpyrimidin-2-yl)thiomorpholine-3-carboxamide
CID 82905664

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]thiomorpholine-3-carboxamide (CID 82908850) is N-[(5-methylpyrazin-2-yl)methyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]thiomorpholine-3-carboxamide is Cc1cnc(CNC(=O)C2CSCCN2)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]thiomorpholine-3-carboxamide?
The InChIKey is UJPONJTWIDAVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-8-4-14-9(5-13-8)6-15-11(16)10-7-17-3-2-12-10/h4-5,10,12H,2-3,6-7H2,1H3,(H,15,16).
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]thiomorpholine-3-carboxamide?
N-[(5-methylpyrazin-2-yl)methyl]thiomorpholine-3-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 82908850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).