methyl 3-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoate

C13H24N2O4S — CID 79717402

IUPACmethyl 3-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)N(CC1CCNCC1)C1CC1
InChIInChI=1S/C13H24N2O4S/c1-19-13(16)6-9-20(17,18)15(12-2-3-12)10-11-4-7-14-8-5-11/h11-12,14H,2-10H2,1H3
InChIKeyTYWYVMCUPJOAKC-UHFFFAOYSA-N
MW304.41 g/mol
LogP0.34
Rot. Bonds7

About methyl 3-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoate

methyl 3-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoate (PubChem CID 79717402) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is methyl 3-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoate
PubChem CID79717402
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Namemethyl 3-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)N(CC1CCNCC1)C1CC1
InChIInChI=1S/C13H24N2O4S/c1-19-13(16)6-9-20(17,18)15(12-2-3-12)10-11-4-7-14-8-5-11/h11-12,14H,2-10H2,1H3
InChIKeyTYWYVMCUPJOAKC-UHFFFAOYSA-N
XLogP0.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl-(3-methoxy-3-oxopropyl)sulfonylamino]acetic acid
CID 54983488
methyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetate
CID 79714267
N-cyclopropyl-1-methylsulfonyl-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 82843062
ethyl 3-[piperidin-4-ylmethyl(propyl)sulfamoyl]propanoate
CID 79702626
2-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoic acid
CID 79717086
N-(dipropylsulfamoyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79702592
methyl 2-[(2-amino-2-oxoethyl)-piperidin-4-ylsulfamoyl]acetate
CID 61360325
methyl 4-[cyclopentyl(ethyl)sulfamoyl]butanoate
CID 54951967
methyl 3-(2-pyrrolidin-3-ylethylsulfamoyl)propanoate
CID 55247848
methyl 3-[[(3S)-pyrrolidin-3-yl]sulfamoyl]propanoate
CID 79684956
N-cyclopropyl-N-(cyclopropylmethyl)ethanesulfonamide
CID 63103163
methyl 3-[propan-2-yl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate
CID 106607628

Frequently Asked Questions

What is the IUPAC name of methyl 3-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoate?
The IUPAC name of methyl 3-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoate (CID 79717402) is methyl 3-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 3-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoate?
The canonical SMILES for methyl 3-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoate is COC(=O)CCS(=O)(=O)N(CC1CCNCC1)C1CC1.
What is the InChIKey of methyl 3-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoate?
The InChIKey is TYWYVMCUPJOAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-19-13(16)6-9-20(17,18)15(12-2-3-12)10-11-4-7-14-8-5-11/h11-12,14H,2-10H2,1H3.
What are the key properties of methyl 3-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoate?
methyl 3-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoate has a molecular weight of 304.41 g/mol, XLogP of 0.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoate is sourced from PubChem (CID 79717402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).