methyl 4-[cyclopropyl(pyridin-3-ylmethyl)sulfamoyl]butanoate

C14H20N2O4S — CID 61460740

IUPACmethyl 4-[cyclopropyl(pyridin-3-ylmethyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C14H20N2O4S/c1-20-14(17)5-3-9-21(18,19)16(13-6-7-13)11-12-4-2-8-15-10-12/h2,4,8,10,13H,3,5-7,9,11H2,1H3
InChIKeyTZMBPESUMCOLCP-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.33
Rot. Bonds8

About methyl 4-[cyclopropyl(pyridin-3-ylmethyl)sulfamoyl]butanoate

methyl 4-[cyclopropyl(pyridin-3-ylmethyl)sulfamoyl]butanoate (PubChem CID 61460740) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is methyl 4-[cyclopropyl(pyridin-3-ylmethyl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[cyclopropyl(pyridin-3-ylmethyl)sulfamoyl]butanoate
PubChem CID61460740
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Namemethyl 4-[cyclopropyl(pyridin-3-ylmethyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C14H20N2O4S/c1-20-14(17)5-3-9-21(18,19)16(13-6-7-13)11-12-4-2-8-15-10-12/h2,4,8,10,13H,3,5-7,9,11H2,1H3
InChIKeyTZMBPESUMCOLCP-UHFFFAOYSA-N
XLogP1.33
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-(oxan-4-yl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 71997817
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate
CID 115174424
3-[benzyl(cyclopropyl)sulfamoyl]propanoic acid
CID 43578537
N-cyclopropyl-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 51204434
methyl 5-[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]-5-oxopentanoate
CID 42518002
1-N,4-N-dicyclopropyl-4-N-(pyridin-3-ylmethyl)benzene-1,4-disulfonamide
CID 55564950
methyl 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoate
CID 61460515
4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide
CID 54869888
methyl 7-(pyridin-3-ylsulfonylamino)heptanoate
CID 87038191
2-chloro-N-cyclopropyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
CID 61042316
N-cyclopropyl-2-(cyclopropylmethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 54869938

Frequently Asked Questions

What is the IUPAC name of methyl 4-[cyclopropyl(pyridin-3-ylmethyl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[cyclopropyl(pyridin-3-ylmethyl)sulfamoyl]butanoate (CID 61460740) is methyl 4-[cyclopropyl(pyridin-3-ylmethyl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[cyclopropyl(pyridin-3-ylmethyl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[cyclopropyl(pyridin-3-ylmethyl)sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)N(Cc1cccnc1)C1CC1.
What is the InChIKey of methyl 4-[cyclopropyl(pyridin-3-ylmethyl)sulfamoyl]butanoate?
The InChIKey is TZMBPESUMCOLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-20-14(17)5-3-9-21(18,19)16(13-6-7-13)11-12-4-2-8-15-10-12/h2,4,8,10,13H,3,5-7,9,11H2,1H3.
What are the key properties of methyl 4-[cyclopropyl(pyridin-3-ylmethyl)sulfamoyl]butanoate?
methyl 4-[cyclopropyl(pyridin-3-ylmethyl)sulfamoyl]butanoate has a molecular weight of 312.39 g/mol, XLogP of 1.33, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[cyclopropyl(pyridin-3-ylmethyl)sulfamoyl]butanoate is sourced from PubChem (CID 61460740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).