ethyl N-[(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-3-yl]carbamate

C14H27N3O4S — CID 94638446

IUPACethyl N-[(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-3-yl]carbamate
SMILESCCOC(=O)N[C@H]1CCCN(S(=O)(=O)N2CCC[C@H](C)C2)C1
InChIInChI=1S/C14H27N3O4S/c1-3-21-14(18)15-13-7-5-9-17(11-13)22(19,20)16-8-4-6-12(2)10-16/h12-13H,3-11H2,1-2H3,(H,15,18)/t12-,13-/m0/s1
InChIKeyXIZPIKWEEUTCDC-STQMWFEESA-N
MW333.45 g/mol
LogP1.17
Rot. Bonds4

About ethyl N-[(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-3-yl]carbamate

ethyl N-[(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-3-yl]carbamate (PubChem CID 94638446) has the molecular formula C14H27N3O4S and a molecular weight of 333.45 g/mol. Its IUPAC name is ethyl N-[(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-3-yl]carbamate
PubChem CID94638446
Molecular FormulaC14H27N3O4S
Molecular Weight333.45 g/mol
Exact Mass333.17
IUPAC Nameethyl N-[(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-3-yl]carbamate
SMILESCCOC(=O)N[C@H]1CCCN(S(=O)(=O)N2CCC[C@H](C)C2)C1
InChIInChI=1S/C14H27N3O4S/c1-3-21-14(18)15-13-7-5-9-17(11-13)22(19,20)16-8-4-6-12(2)10-16/h12-13H,3-11H2,1-2H3,(H,15,18)/t12-,13-/m0/s1
InChIKeyXIZPIKWEEUTCDC-STQMWFEESA-N
XLogP1.17
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methylpentan-2-yl 2-[(sulfamoylamino)methyl]piperidine-1-carboxylate
CID 126824899
tert-butyl N-[1-[1-(3-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethyl]carbamate
CID 47049489
butyl N-[(3R,5S)-5-methylpiperidin-3-yl]carbamate
CID 123179545
butyl N-(5-methylpiperidin-3-yl)carbamate
CID 123728454
tert-butyl N-[(1R,5S)-3-chlorosulfonyl-3-azabicyclo[3.1.1]heptan-6-yl]carbamate
CID 176409977
Ethyl 4-(piperazin-1-ylsulfonylamino)piperidine-1-carboxylate
CID 29266489
Ethyl 4-[(4-methylpiperidin-1-yl)sulfonylamino]piperidine-1-carboxylate
CID 30783993
ethyl 4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylamino]piperidine-1-carboxylate
CID 30783996
ethyl 4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylamino]piperidine-1-carboxylate
CID 30783998
ethyl 4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylamino]piperidine-1-carboxylate
CID 30784001
Ethyl 4-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]piperidine-1-carboxylate
CID 45807714
ethyl N-[4-methyl-1-[(4-methylpiperidin-1-yl)sulfonylamino]pentan-2-yl]carbamate
CID 45886774

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-3-yl]carbamate (CID 94638446) is ethyl N-[(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-3-yl]carbamate is CCOC(=O)N[C@H]1CCCN(S(=O)(=O)N2CCC[C@H](C)C2)C1.
What is the InChIKey of ethyl N-[(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-3-yl]carbamate?
The InChIKey is XIZPIKWEEUTCDC-STQMWFEESA-N. The full InChI is InChI=1S/C14H27N3O4S/c1-3-21-14(18)15-13-7-5-9-17(11-13)22(19,20)16-8-4-6-12(2)10-16/h12-13H,3-11H2,1-2H3,(H,15,18)/t12-,13-/m0/s1.
What are the key properties of ethyl N-[(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-3-yl]carbamate?
ethyl N-[(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-3-yl]carbamate has a molecular weight of 333.45 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-3-yl]carbamate is sourced from PubChem (CID 94638446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).