methyl 2-[(2-methylpiperidin-3-yl)sulfamoyl]propanoate

C10H20N2O4S — CID 114695160

IUPACmethyl 2-[(2-methylpiperidin-3-yl)sulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NC1CCCNC1C
InChIInChI=1S/C10H20N2O4S/c1-7-9(5-4-6-11-7)12-17(14,15)8(2)10(13)16-3/h7-9,11-12H,4-6H2,1-3H3
InChIKeyPYWRVXCNWYIBNV-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.39
Rot. Bonds4

About methyl 2-[(2-methylpiperidin-3-yl)sulfamoyl]propanoate

methyl 2-[(2-methylpiperidin-3-yl)sulfamoyl]propanoate (PubChem CID 114695160) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is methyl 2-[(2-methylpiperidin-3-yl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2-methylpiperidin-3-yl)sulfamoyl]propanoate
PubChem CID114695160
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Namemethyl 2-[(2-methylpiperidin-3-yl)sulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NC1CCCNC1C
InChIInChI=1S/C10H20N2O4S/c1-7-9(5-4-6-11-7)12-17(14,15)8(2)10(13)16-3/h7-9,11-12H,4-6H2,1-3H3
InChIKeyPYWRVXCNWYIBNV-UHFFFAOYSA-N
XLogP-0.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64816642
methyl 2-(cyclohexylsulfamoyl)propanoate
CID 63362940
2-[(2-methylpiperidin-3-yl)amino]propanamide
CID 130870878
2-(methanesulfonamido)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
CID 120575422
methyl 2-[[4-(methylamino)cyclohexyl]sulfamoyl]propanoate
CID 79111140
2-methyl-N-[(2R,3R)-2-methylpiperidin-3-yl]butanamide
CID 130763419
N-(2-methylpiperidin-3-yl)-2-propan-2-yloxyacetamide
CID 112602527
methyl 2-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate
CID 61459191
N-(2-methylpiperidin-3-yl)-2-methylsulfanylpropanamide
CID 120576561
2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-3-yl)butanamide
CID 120574654
3-methoxy-N-(2-methylpiperidin-3-yl)propane-1-sulfonamide
CID 79043799
1,1-dimethyl-3-[(2R,3R)-2-methylpiperidin-3-yl]urea
CID 118114950

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylpiperidin-3-yl)sulfamoyl]propanoate?
The IUPAC name of methyl 2-[(2-methylpiperidin-3-yl)sulfamoyl]propanoate (CID 114695160) is methyl 2-[(2-methylpiperidin-3-yl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 2-[(2-methylpiperidin-3-yl)sulfamoyl]propanoate?
The canonical SMILES for methyl 2-[(2-methylpiperidin-3-yl)sulfamoyl]propanoate is COC(=O)C(C)S(=O)(=O)NC1CCCNC1C.
What is the InChIKey of methyl 2-[(2-methylpiperidin-3-yl)sulfamoyl]propanoate?
The InChIKey is PYWRVXCNWYIBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-7-9(5-4-6-11-7)12-17(14,15)8(2)10(13)16-3/h7-9,11-12H,4-6H2,1-3H3.
What are the key properties of methyl 2-[(2-methylpiperidin-3-yl)sulfamoyl]propanoate?
methyl 2-[(2-methylpiperidin-3-yl)sulfamoyl]propanoate has a molecular weight of 264.35 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylpiperidin-3-yl)sulfamoyl]propanoate is sourced from PubChem (CID 114695160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).