tert-butyl N-[3-(thiolan-2-ylmethylamino)cyclopentyl]carbamate

C15H28N2O2S — CID 80584361

IUPACtert-butyl N-[3-(thiolan-2-ylmethylamino)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCC2CCCS2)C1
InChIInChI=1S/C15H28N2O2S/c1-15(2,3)19-14(18)17-12-7-6-11(9-12)16-10-13-5-4-8-20-13/h11-13,16H,4-10H2,1-3H3,(H,17,18)
InChIKeyVANAYDMPFNDEGG-UHFFFAOYSA-N
MW300.47 g/mol
LogP2.92
Rot. Bonds4

About tert-butyl N-[3-(thiolan-2-ylmethylamino)cyclopentyl]carbamate

tert-butyl N-[3-(thiolan-2-ylmethylamino)cyclopentyl]carbamate (PubChem CID 80584361) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is tert-butyl N-[3-(thiolan-2-ylmethylamino)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(thiolan-2-ylmethylamino)cyclopentyl]carbamate
PubChem CID80584361
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC Nametert-butyl N-[3-(thiolan-2-ylmethylamino)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCC2CCCS2)C1
InChIInChI=1S/C15H28N2O2S/c1-15(2,3)19-14(18)17-12-7-6-11(9-12)16-10-13-5-4-8-20-13/h11-13,16H,4-10H2,1-3H3,(H,17,18)
InChIKeyVANAYDMPFNDEGG-UHFFFAOYSA-N
XLogP2.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(thiolan-2-ylmethylamino)cyclohexyl]carbamate
CID 80583721
tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate
CID 79461727
tert-butyl N-[(3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]carbamate;molecular hydrogen
CID 158239331
tert-butyl N-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cyclopentyl]carbamate
CID 103719960
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342
2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid
CID 79461532
tert-butyl N-[[(2R)-thian-2-yl]methyl]carbamate
CID 97052799
tert-butyl N-[3-[(3-hydroxycyclopentyl)methylamino]cyclohexyl]carbamate
CID 106120887
tert-butyl N-[3-(4,4,4-trifluorobutylamino)cyclopentyl]carbamate
CID 115516381
tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate
CID 79462575
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(thiolan-2-ylmethylamino)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-(thiolan-2-ylmethylamino)cyclopentyl]carbamate (CID 80584361) is tert-butyl N-[3-(thiolan-2-ylmethylamino)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(thiolan-2-ylmethylamino)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(thiolan-2-ylmethylamino)cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCC(NCC2CCCS2)C1.
What is the InChIKey of tert-butyl N-[3-(thiolan-2-ylmethylamino)cyclopentyl]carbamate?
The InChIKey is VANAYDMPFNDEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c1-15(2,3)19-14(18)17-12-7-6-11(9-12)16-10-13-5-4-8-20-13/h11-13,16H,4-10H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[3-(thiolan-2-ylmethylamino)cyclopentyl]carbamate?
tert-butyl N-[3-(thiolan-2-ylmethylamino)cyclopentyl]carbamate has a molecular weight of 300.47 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(thiolan-2-ylmethylamino)cyclopentyl]carbamate is sourced from PubChem (CID 80584361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).