methyl 4-(thiolan-3-ylamino)piperidine-1-carboxylate

C11H20N2O2S — CID 115674399

IUPACmethyl 4-(thiolan-3-ylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC2CCSC2)CC1
InChIInChI=1S/C11H20N2O2S/c1-15-11(14)13-5-2-9(3-6-13)12-10-4-7-16-8-10/h9-10,12H,2-8H2,1H3
InChIKeyCJUCZPNOWUQUQF-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.31
Rot. Bonds2

About methyl 4-(thiolan-3-ylamino)piperidine-1-carboxylate

methyl 4-(thiolan-3-ylamino)piperidine-1-carboxylate (PubChem CID 115674399) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is methyl 4-(thiolan-3-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(thiolan-3-ylamino)piperidine-1-carboxylate
PubChem CID115674399
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Namemethyl 4-(thiolan-3-ylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC2CCSC2)CC1
InChIInChI=1S/C11H20N2O2S/c1-15-11(14)13-5-2-9(3-6-13)12-10-4-7-16-8-10/h9-10,12H,2-8H2,1H3
InChIKeyCJUCZPNOWUQUQF-UHFFFAOYSA-N
XLogP1.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(thiolan-3-ylamino)piperidine-1-carboxamide
CID 103783659
tert-butyl (4S)-4-[[(3S)-thian-3-yl]amino]azepane-1-carboxylate
CID 99718881
tert-butyl (3S)-3-(thian-4-ylamino)pyrrolidine-1-carboxylate
CID 86609366
methyl 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]piperidine-1-carboxylate
CID 75500546
1-(2-methylprop-2-enyl)-N-(thiolan-3-yl)piperidin-4-amine
CID 115717918
methyl 4-bromopiperidine-1-carboxylate
CID 174906499
methyl 4-(6-oxaspiro[4.5]decan-9-ylamino)piperidine-1-carboxylate
CID 71915372
CID 123981313
CID 123981313
methyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
CID 47351547
2-methylpropyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 69398316
ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate
CID 143709693
tert-butyl 4-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate
CID 43652189

Frequently Asked Questions

What is the IUPAC name of methyl 4-(thiolan-3-ylamino)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(thiolan-3-ylamino)piperidine-1-carboxylate (CID 115674399) is methyl 4-(thiolan-3-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(thiolan-3-ylamino)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(thiolan-3-ylamino)piperidine-1-carboxylate is COC(=O)N1CCC(NC2CCSC2)CC1.
What is the InChIKey of methyl 4-(thiolan-3-ylamino)piperidine-1-carboxylate?
The InChIKey is CJUCZPNOWUQUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-15-11(14)13-5-2-9(3-6-13)12-10-4-7-16-8-10/h9-10,12H,2-8H2,1H3.
What are the key properties of methyl 4-(thiolan-3-ylamino)piperidine-1-carboxylate?
methyl 4-(thiolan-3-ylamino)piperidine-1-carboxylate has a molecular weight of 244.36 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(thiolan-3-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 115674399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).