methyl 2-(piperidin-1-ylsulfonylamino)propanoate

C9H18N2O4S — CID 60723843

IUPACmethyl 2-(piperidin-1-ylsulfonylamino)propanoate
SMILESCOC(=O)C(C)NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C9H18N2O4S/c1-8(9(12)15-2)10-16(13,14)11-6-4-3-5-7-11/h8,10H,3-7H2,1-2H3
InChIKeyXMLZZSMZCYJNEW-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.13
Rot. Bonds4

About methyl 2-(piperidin-1-ylsulfonylamino)propanoate

methyl 2-(piperidin-1-ylsulfonylamino)propanoate (PubChem CID 60723843) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is methyl 2-(piperidin-1-ylsulfonylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(piperidin-1-ylsulfonylamino)propanoate
PubChem CID60723843
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Namemethyl 2-(piperidin-1-ylsulfonylamino)propanoate
SMILESCOC(=O)C(C)NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C9H18N2O4S/c1-8(9(12)15-2)10-16(13,14)11-6-4-3-5-7-11/h8,10H,3-7H2,1-2H3
InChIKeyXMLZZSMZCYJNEW-UHFFFAOYSA-N
XLogP-0.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(piperazin-1-ylsulfonylamino)propanoate
CID 22615502
N-(3-oxopentan-2-yl)azepane-1-sulfonamide
CID 64994212
1-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 60859270
N-(1-aminoethyl)pyrrolidine-1-sulfonamide
CID 117126220
methyl (2R)-2-[[4-(4-iodophenyl)piperazin-1-yl]sulfonylamino]propanoate
CID 59286005
diethyl 2-(piperidin-1-ylsulfonylamino)propanedioate
CID 43431744
(2S)-3-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid
CID 61173835
N-(1,3-dihydroxypropan-2-yl)piperidine-1-sulfonamide
CID 65314238
propan-2-yl N-(azepan-1-ylsulfonyl)carbamate
CID 114463100
N-but-3-yn-2-ylazepane-1-sulfonamide
CID 114419133
ethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate
CID 60731767
(2S,3R)-3-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 28783815

Frequently Asked Questions

What is the IUPAC name of methyl 2-(piperidin-1-ylsulfonylamino)propanoate?
The IUPAC name of methyl 2-(piperidin-1-ylsulfonylamino)propanoate (CID 60723843) is methyl 2-(piperidin-1-ylsulfonylamino)propanoate.
What is the SMILES notation for methyl 2-(piperidin-1-ylsulfonylamino)propanoate?
The canonical SMILES for methyl 2-(piperidin-1-ylsulfonylamino)propanoate is COC(=O)C(C)NS(=O)(=O)N1CCCCC1.
What is the InChIKey of methyl 2-(piperidin-1-ylsulfonylamino)propanoate?
The InChIKey is XMLZZSMZCYJNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-8(9(12)15-2)10-16(13,14)11-6-4-3-5-7-11/h8,10H,3-7H2,1-2H3.
What are the key properties of methyl 2-(piperidin-1-ylsulfonylamino)propanoate?
methyl 2-(piperidin-1-ylsulfonylamino)propanoate has a molecular weight of 250.32 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(piperidin-1-ylsulfonylamino)propanoate is sourced from PubChem (CID 60723843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).