tert-butyl 1-[[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]piperidine-2-carboxylate

C14H27N3O5S — CID 138047842

IUPACtert-butyl 1-[[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]piperidine-2-carboxylate
SMILESCNC(=O)[C@@H](C)NS(=O)(=O)N1CCCCC1C(=O)OC(C)(C)C
InChIInChI=1S/C14H27N3O5S/c1-10(12(18)15-5)16-23(20,21)17-9-7-6-8-11(17)13(19)22-14(2,3)4/h10-11,16H,6-9H2,1-5H3,(H,15,18)/t10-,11?/m1/s1
InChIKeyPPDCJYZHNXDNLK-NFJWQWPMSA-N
MW349.45 g/mol
LogP0.15
Rot. Bonds5

About tert-butyl 1-[[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]piperidine-2-carboxylate

tert-butyl 1-[[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]piperidine-2-carboxylate (PubChem CID 138047842) has the molecular formula C14H27N3O5S and a molecular weight of 349.45 g/mol. Its IUPAC name is tert-butyl 1-[[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]piperidine-2-carboxylate
PubChem CID138047842
Molecular FormulaC14H27N3O5S
Molecular Weight349.45 g/mol
Exact Mass349.17
IUPAC Nametert-butyl 1-[[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]piperidine-2-carboxylate
SMILESCNC(=O)[C@@H](C)NS(=O)(=O)N1CCCCC1C(=O)OC(C)(C)C
InChIInChI=1S/C14H27N3O5S/c1-10(12(18)15-5)16-23(20,21)17-9-7-6-8-11(17)13(19)22-14(2,3)4/h10-11,16H,6-9H2,1-5H3,(H,15,18)/t10-,11?/m1/s1
InChIKeyPPDCJYZHNXDNLK-NFJWQWPMSA-N
XLogP0.15
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 1-[[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]piperidine-2-carboxylate with MolForge

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Related Compounds

tert-butyl (2R)-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylate
CID 104929274
(2R)-N-tert-butyl-2-[[(2R)-2-methylpiperidin-1-yl]sulfonylamino]propanamide
CID 124727544
tert-butyl (2S)-1-methylsulfonylpyrrolidine-2-carboxylate
CID 81004587
1-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 60859270
tert-butyl (2S)-1-cyclopropylsulfonylpyrrolidine-2-carboxylate
CID 81004849
tert-butyl (2S)-1-(dimethylsulfamoyl)pyrrolidine-2-carboxylate
CID 81005721
tert-butyl (2S)-1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 115537272
tert-butyl (2R)-1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxylate
CID 81320304
tert-butyl (2R)-1-propan-2-ylpyrrolidine-2-carboxylate
CID 115320230
methyl 1-(2-methylpropylsulfamoyl)piperidine-2-carboxylate
CID 114816360
tert-butyl (2S)-1-(diethylsulfamoyl)pyrrolidine-2-carboxylate
CID 81005114
tert-butyl (2R)-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxylate
CID 90891523

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]piperidine-2-carboxylate?
The IUPAC name of tert-butyl 1-[[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]piperidine-2-carboxylate (CID 138047842) is tert-butyl 1-[[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]piperidine-2-carboxylate.
What is the SMILES notation for tert-butyl 1-[[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]piperidine-2-carboxylate?
The canonical SMILES for tert-butyl 1-[[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]piperidine-2-carboxylate is CNC(=O)[C@@H](C)NS(=O)(=O)N1CCCCC1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 1-[[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]piperidine-2-carboxylate?
The InChIKey is PPDCJYZHNXDNLK-NFJWQWPMSA-N. The full InChI is InChI=1S/C14H27N3O5S/c1-10(12(18)15-5)16-23(20,21)17-9-7-6-8-11(17)13(19)22-14(2,3)4/h10-11,16H,6-9H2,1-5H3,(H,15,18)/t10-,11?/m1/s1.
What are the key properties of tert-butyl 1-[[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]piperidine-2-carboxylate?
tert-butyl 1-[[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]piperidine-2-carboxylate has a molecular weight of 349.45 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]piperidine-2-carboxylate is sourced from PubChem (CID 138047842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).