5-methyl-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]pyrazine-2-carboxamide

C15H22N4O2S — CID 39155566

IUPAC5-methyl-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)cn1
InChIInChI=1S/C15H22N4O2S/c1-12-8-17-13(9-16-12)14(20)18-10-15(2-7-22-11-15)19-3-5-21-6-4-19/h8-9H,2-7,10-11H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyMWMFBCBBYUNGHO-HNNXBMFYSA-N
MW322.43 g/mol
LogP0.72
Rot. Bonds4

About 5-methyl-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]pyrazine-2-carboxamide

5-methyl-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]pyrazine-2-carboxamide (PubChem CID 39155566) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 5-methyl-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]pyrazine-2-carboxamide
PubChem CID39155566
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name5-methyl-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)cn1
InChIInChI=1S/C15H22N4O2S/c1-12-8-17-13(9-16-12)14(20)18-10-15(2-7-22-11-15)19-3-5-21-6-4-19/h8-9H,2-7,10-11H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyMWMFBCBBYUNGHO-HNNXBMFYSA-N
XLogP0.72
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-tert-butyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 47056037
2,5-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 55658501
2,6-difluoro-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 94667443
2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 39156035
2-amino-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide
CID 119862763
2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 124727496
4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide
CID 55658360
4,6-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrimidin-2-amine
CID 78871065
N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 51125025
1-(3,5-dimethoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 55696410
1-(4-methoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 42960503
N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-nitrothiophene-2-carboxamide
CID 55658583

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]pyrazine-2-carboxamide (CID 39155566) is 5-methyl-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)cn1.
What is the InChIKey of 5-methyl-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is MWMFBCBBYUNGHO-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-12-8-17-13(9-16-12)14(20)18-10-15(2-7-22-11-15)19-3-5-21-6-4-19/h8-9H,2-7,10-11H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of 5-methyl-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]pyrazine-2-carboxamide?
5-methyl-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 39155566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).