tert-butyl N-[2-[[(3R)-1-ethylsulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate

C15H29N3O5S — CID 52508323

IUPACtert-butyl N-[2-[[(3R)-1-ethylsulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate
SMILESCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H29N3O5S/c1-5-24(21,22)18-10-6-7-12(11-18)13(19)16-8-9-17-14(20)23-15(2,3)4/h12H,5-11H2,1-4H3,(H,16,19)(H,17,20)/t12-/m1/s1
InChIKeyNUUTVXFCKVSKPU-GFCCVEGCSA-N
MW363.48 g/mol
LogP0.69
Rot. Bonds6

About tert-butyl N-[2-[[(3R)-1-ethylsulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate

tert-butyl N-[2-[[(3R)-1-ethylsulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate (PubChem CID 52508323) has the molecular formula C15H29N3O5S and a molecular weight of 363.48 g/mol. Its IUPAC name is tert-butyl N-[2-[[(3R)-1-ethylsulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(3R)-1-ethylsulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate
PubChem CID52508323
Molecular FormulaC15H29N3O5S
Molecular Weight363.48 g/mol
Exact Mass363.18
IUPAC Nametert-butyl N-[2-[[(3R)-1-ethylsulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate
SMILESCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H29N3O5S/c1-5-24(21,22)18-10-6-7-12(11-18)13(19)16-8-9-17-14(20)23-15(2,3)4/h12H,5-11H2,1-4H3,(H,16,19)(H,17,20)/t12-/m1/s1
InChIKeyNUUTVXFCKVSKPU-GFCCVEGCSA-N
XLogP0.69
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]ethyl]carbamate
CID 94813303
tert-butyl N-[2-[[1-[2-oxo-2-(propylamino)ethyl]piperidine-3-carbonyl]amino]ethyl]carbamate
CID 48944150
tert-butyl N-[(1-ethylsulfonylpiperidin-4-yl)methyl]carbamate
CID 53256443
(3R)-1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92696521
N-cyclopropyl-1-ethylsulfonylpiperidine-3-carboxamide
CID 3497697
(3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365618
(3S)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365619
(3S)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 124757090
(3R)-1-ethylsulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
CID 95119092
1-(2-methoxyethylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 110335830
N-[2-(dimethylamino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 4054664
N-[2-(2-methoxyethoxy)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55685553

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(3R)-1-ethylsulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[(3R)-1-ethylsulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate (CID 52508323) is tert-butyl N-[2-[[(3R)-1-ethylsulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(3R)-1-ethylsulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[(3R)-1-ethylsulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate is CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[2-[[(3R)-1-ethylsulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate?
The InChIKey is NUUTVXFCKVSKPU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H29N3O5S/c1-5-24(21,22)18-10-6-7-12(11-18)13(19)16-8-9-17-14(20)23-15(2,3)4/h12H,5-11H2,1-4H3,(H,16,19)(H,17,20)/t12-/m1/s1.
What are the key properties of tert-butyl N-[2-[[(3R)-1-ethylsulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[(3R)-1-ethylsulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate has a molecular weight of 363.48 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[(3R)-1-ethylsulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate is sourced from PubChem (CID 52508323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).