tert-butyl 4-[ethyl(methyl)sulfamoyl]piperidine-1-carboxylate

C13H26N2O4S — CID 171633938

IUPACtert-butyl 4-[ethyl(methyl)sulfamoyl]piperidine-1-carboxylate
SMILESCCN(C)S(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O4S/c1-6-14(5)20(17,18)11-7-9-15(10-8-11)12(16)19-13(2,3)4/h11H,6-10H2,1-5H3
InChIKeyYMFVTSMPNKEXBT-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.67
Rot. Bonds3

About tert-butyl 4-[ethyl(methyl)sulfamoyl]piperidine-1-carboxylate

tert-butyl 4-[ethyl(methyl)sulfamoyl]piperidine-1-carboxylate (PubChem CID 171633938) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is tert-butyl 4-[ethyl(methyl)sulfamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[ethyl(methyl)sulfamoyl]piperidine-1-carboxylate
PubChem CID171633938
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Nametert-butyl 4-[ethyl(methyl)sulfamoyl]piperidine-1-carboxylate
SMILESCCN(C)S(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O4S/c1-6-14(5)20(17,18)11-7-9-15(10-8-11)12(16)19-13(2,3)4/h11H,6-10H2,1-5H3
InChIKeyYMFVTSMPNKEXBT-UHFFFAOYSA-N
XLogP1.67
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[methyl(sulfamoyl)amino]piperidine-1-carboxylate
CID 167049164
tert-butyl 4-(cyclopropylmethylsulfonyl)piperidine-1-carboxylate
CID 86660374
tert-butyl 4-pyrrolidin-1-ylsulfonylpiperidine-1-carboxylate
CID 59560785
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl (3S)-3-(methylsulfonimidoyl)pyrrolidine-1-carboxylate
CID 125499804
tert-butyl 4-[cyclopropanecarbonyl(methyl)amino]piperidine-1-carboxylate
CID 154576447
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
tert-butyl 4-(1-methylsulfonyloxyethyl)piperidine-1-carboxylate
CID 23282886
tert-butyl 4-[(dipropylamino)methyl]piperidine-1-carboxylate
CID 123464711
tert-butyl 4-[2-aminopropanoyl(ethyl)amino]piperidine-1-carboxylate
CID 77143621
tert-butyl 4-(sulfanylmethyl)piperidine-1-carboxylate
CID 58694772
tert-butyl (4S,5S)-4-amino-5-methylazepane-1-carboxylate
CID 124523400

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[ethyl(methyl)sulfamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[ethyl(methyl)sulfamoyl]piperidine-1-carboxylate (CID 171633938) is tert-butyl 4-[ethyl(methyl)sulfamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[ethyl(methyl)sulfamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[ethyl(methyl)sulfamoyl]piperidine-1-carboxylate is CCN(C)S(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[ethyl(methyl)sulfamoyl]piperidine-1-carboxylate?
The InChIKey is YMFVTSMPNKEXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-6-14(5)20(17,18)11-7-9-15(10-8-11)12(16)19-13(2,3)4/h11H,6-10H2,1-5H3.
What are the key properties of tert-butyl 4-[ethyl(methyl)sulfamoyl]piperidine-1-carboxylate?
tert-butyl 4-[ethyl(methyl)sulfamoyl]piperidine-1-carboxylate has a molecular weight of 306.43 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[ethyl(methyl)sulfamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 171633938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).