tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate

C13H26N2O4S — CID 142582802

IUPACtert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate
SMILESCC(NS(C)(=O)=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O4S/c1-10(14-20(5,17)18)11-7-6-8-15(9-11)12(16)19-13(2,3)4/h10-11,14H,6-9H2,1-5H3
InChIKeyIVBVDHKVSDMYGH-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.57
Rot. Bonds3

About tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate

tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate (PubChem CID 142582802) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate
PubChem CID142582802
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Nametert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate
SMILESCC(NS(C)(=O)=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O4S/c1-10(14-20(5,17)18)11-7-6-8-15(9-11)12(16)19-13(2,3)4/h10-11,14H,6-9H2,1-5H3
InChIKeyIVBVDHKVSDMYGH-UHFFFAOYSA-N
XLogP1.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate
CID 103649308
tert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 55212997
tert-butyl 3-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 65312713
tert-butyl 3-[1-(ethoxyamino)ethyl]piperidine-1-carboxylate
CID 82709755
tert-butyl 3-[1-(1,1-difluoropropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 107247336
2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]ethylamino]acetic acid
CID 63586245
tert-butyl (3R)-3-[(1S)-1-[[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]ethyl]piperidine-1-carboxylate
CID 124677669
tert-butyl 3-(1-iodoethyl)piperidine-1-carboxylate
CID 71633205
tert-butyl 3-[1-(2,2-dimethylbutylamino)ethyl]piperidine-1-carboxylate
CID 103460936
tert-butyl 3-[1-[(1-methylcyclobutyl)amino]ethyl]piperidine-1-carboxylate
CID 115976168
tert-butyl 3-[1-[(4-hydroxy-3-methylbutan-2-yl)amino]ethyl]piperidine-1-carboxylate
CID 103948438
tert-butyl 3-[1-(2-aminoethylamino)ethyl]piperidine-1-carboxylate
CID 63586966

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate (CID 142582802) is tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate is CC(NS(C)(=O)=O)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate?
The InChIKey is IVBVDHKVSDMYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-10(14-20(5,17)18)11-7-6-8-15(9-11)12(16)19-13(2,3)4/h10-11,14H,6-9H2,1-5H3.
What are the key properties of tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate?
tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate has a molecular weight of 306.43 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 142582802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).