2-methyl-1-(6-oxopiperidin-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine

C13H25N5O3S2 — CID 119155071

IUPAC2-methyl-1-(6-oxopiperidin-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
SMILESC/N=C(\NCCS(=O)(=O)N1CCSCC1)NC1CCC(=O)NC1
InChIInChI=1S/C13H25N5O3S2/c1-14-13(17-11-2-3-12(19)16-10-11)15-4-9-23(20,21)18-5-7-22-8-6-18/h11H,2-10H2,1H3,(H,16,19)(H2,14,15,17)
InChIKeyLRDZAJWXYQPDRN-UHFFFAOYSA-N
MW363.51 g/mol
LogP-1.19
Rot. Bonds5

About 2-methyl-1-(6-oxopiperidin-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine

2-methyl-1-(6-oxopiperidin-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine (PubChem CID 119155071) has the molecular formula C13H25N5O3S2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-methyl-1-(6-oxopiperidin-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(6-oxopiperidin-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
PubChem CID119155071
Molecular FormulaC13H25N5O3S2
Molecular Weight363.51 g/mol
Exact Mass363.14
IUPAC Name2-methyl-1-(6-oxopiperidin-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
SMILESC/N=C(\NCCS(=O)(=O)N1CCSCC1)NC1CCC(=O)NC1
InChIInChI=1S/C13H25N5O3S2/c1-14-13(17-11-2-3-12(19)16-10-11)15-4-9-23(20,21)18-5-7-22-8-6-18/h11H,2-10H2,1H3,(H,16,19)(H2,14,15,17)
InChIKeyLRDZAJWXYQPDRN-UHFFFAOYSA-N
XLogP-1.19
TPSA102.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(6-oxopiperidin-3-yl)-3-(2-thiomorpholin-4-ylethyl)guanidine
CID 119153906
1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
CID 119155057
1-(cyclobutylmethyl)-2-methyl-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
CID 119155535
2-methyl-1-(2-piperidin-1-ylethyl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
CID 111833647
2-methyl-1-(oxan-4-ylmethyl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
CID 119155543
1-[(3-hydroxythiolan-3-yl)methyl]-2-methyl-3-(6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 119162139
1-cyclobutyl-2-methyl-3-(6-oxopiperidin-3-yl)guanidine
CID 119153908
1-benzyl-2-methyl-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 111546160
2-methyl-1-(oxolan-2-ylmethyl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 111833136
2-[[N'-methyl-N-(6-oxopiperidin-3-yl)carbamimidoyl]amino]-N-propan-2-ylacetamide
CID 119158441
2-methyl-1-(2-thiomorpholin-4-ylsulfonylethyl)-3-(thiophen-2-ylmethyl)guanidine
CID 111833359
1-[(4-chlorophenyl)methyl]-2-methyl-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
CID 111833123

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-oxopiperidin-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine?
The IUPAC name of 2-methyl-1-(6-oxopiperidin-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine (CID 119155071) is 2-methyl-1-(6-oxopiperidin-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine.
What is the SMILES notation for 2-methyl-1-(6-oxopiperidin-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine?
The canonical SMILES for 2-methyl-1-(6-oxopiperidin-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine is C/N=C(\NCCS(=O)(=O)N1CCSCC1)NC1CCC(=O)NC1.
What is the InChIKey of 2-methyl-1-(6-oxopiperidin-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine?
The InChIKey is LRDZAJWXYQPDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O3S2/c1-14-13(17-11-2-3-12(19)16-10-11)15-4-9-23(20,21)18-5-7-22-8-6-18/h11H,2-10H2,1H3,(H,16,19)(H2,14,15,17).
What are the key properties of 2-methyl-1-(6-oxopiperidin-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine?
2-methyl-1-(6-oxopiperidin-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine has a molecular weight of 363.51 g/mol, XLogP of -1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-oxopiperidin-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine is sourced from PubChem (CID 119155071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).