tert-butyl 4-[(2-ethylsulfanylcyclopentyl)amino]-3,3-dimethylpiperidine-1-carboxylate

C19H36N2O2S — CID 114235580

IUPACtert-butyl 4-[(2-ethylsulfanylcyclopentyl)amino]-3,3-dimethylpiperidine-1-carboxylate
SMILESCCSC1CCCC1NC1CCN(C(=O)OC(C)(C)C)CC1(C)C
InChIInChI=1S/C19H36N2O2S/c1-7-24-15-10-8-9-14(15)20-16-11-12-21(13-19(16,5)6)17(22)23-18(2,3)4/h14-16,20H,7-13H2,1-6H3
InChIKeyNBNZMUQKSVKVER-UHFFFAOYSA-N
MW356.58 g/mol
LogP4.29
Rot. Bonds4

About tert-butyl 4-[(2-ethylsulfanylcyclopentyl)amino]-3,3-dimethylpiperidine-1-carboxylate

tert-butyl 4-[(2-ethylsulfanylcyclopentyl)amino]-3,3-dimethylpiperidine-1-carboxylate (PubChem CID 114235580) has the molecular formula C19H36N2O2S and a molecular weight of 356.58 g/mol. Its IUPAC name is tert-butyl 4-[(2-ethylsulfanylcyclopentyl)amino]-3,3-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2-ethylsulfanylcyclopentyl)amino]-3,3-dimethylpiperidine-1-carboxylate
PubChem CID114235580
Molecular FormulaC19H36N2O2S
Molecular Weight356.58 g/mol
Exact Mass356.25
IUPAC Nametert-butyl 4-[(2-ethylsulfanylcyclopentyl)amino]-3,3-dimethylpiperidine-1-carboxylate
SMILESCCSC1CCCC1NC1CCN(C(=O)OC(C)(C)C)CC1(C)C
InChIInChI=1S/C19H36N2O2S/c1-7-24-15-10-8-9-14(15)20-16-11-12-21(13-19(16,5)6)17(22)23-18(2,3)4/h14-16,20H,7-13H2,1-6H3
InChIKeyNBNZMUQKSVKVER-UHFFFAOYSA-N
XLogP4.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[(2-ethylsulfanylcyclopentyl)amino]-3,3-dimethylpiperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3,3-dimethyl-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]piperidine-1-carboxylate
CID 114235505
tert-butyl (4S)-4-amino-3,3-dimethylpiperidine-1-carboxylate;hydrochloride
CID 131637058
tert-butyl 4-(benzylamino)-3,3-dimethylpiperidine-1-carboxylate
CID 68939802
tert-butyl 3,3-dimethyl-4-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate
CID 114235526
tert-butyl 4-[[(1-methylcyclopentyl)methylamino]methyl]piperidine-1-carboxylate
CID 103730249
tert-butyl 3-[(2-methylsulfanylcyclohexyl)amino]pyrrolidine-1-carboxylate
CID 103783515
tert-butyl (4S)-3,3-difluoro-4-(methylamino)piperidine-1-carboxylate
CID 164876565
tert-butyl 4-[[(1-methylcyclopropyl)methylamino]methyl]piperidine-1-carboxylate
CID 103766065
tert-butyl 3-[(2-methylsulfanylcyclopentyl)amino]piperidine-1-carboxylate
CID 103948538
tert-butyl (4R)-3,3-dimethyl-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxylate
CID 86707892
tert-butyl 4-(2-hydroxyethyl)-3,3-dimethylpyrrolidine-1-carboxylate
CID 155820839
tert-butyl 3-[(2-methylsulfanylcyclohexyl)amino]azetidine-1-carboxylate
CID 103788176

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-ethylsulfanylcyclopentyl)amino]-3,3-dimethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2-ethylsulfanylcyclopentyl)amino]-3,3-dimethylpiperidine-1-carboxylate (CID 114235580) is tert-butyl 4-[(2-ethylsulfanylcyclopentyl)amino]-3,3-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2-ethylsulfanylcyclopentyl)amino]-3,3-dimethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2-ethylsulfanylcyclopentyl)amino]-3,3-dimethylpiperidine-1-carboxylate is CCSC1CCCC1NC1CCN(C(=O)OC(C)(C)C)CC1(C)C.
What is the InChIKey of tert-butyl 4-[(2-ethylsulfanylcyclopentyl)amino]-3,3-dimethylpiperidine-1-carboxylate?
The InChIKey is NBNZMUQKSVKVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2S/c1-7-24-15-10-8-9-14(15)20-16-11-12-21(13-19(16,5)6)17(22)23-18(2,3)4/h14-16,20H,7-13H2,1-6H3.
What are the key properties of tert-butyl 4-[(2-ethylsulfanylcyclopentyl)amino]-3,3-dimethylpiperidine-1-carboxylate?
tert-butyl 4-[(2-ethylsulfanylcyclopentyl)amino]-3,3-dimethylpiperidine-1-carboxylate has a molecular weight of 356.58 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-ethylsulfanylcyclopentyl)amino]-3,3-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 114235580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).