tert-butyl N-[[1-(thiolan-3-ylmethylamino)cyclopentyl]methyl]carbamate

C16H30N2O2S — CID 107166287

IUPACtert-butyl N-[[1-(thiolan-3-ylmethylamino)cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(NCC2CCSC2)CCCC1
InChIInChI=1S/C16H30N2O2S/c1-15(2,3)20-14(19)17-12-16(7-4-5-8-16)18-10-13-6-9-21-11-13/h13,18H,4-12H2,1-3H3,(H,17,19)
InChIKeyMTQIKUSADQNZJZ-UHFFFAOYSA-N
MW314.50 g/mol
LogP3.17
Rot. Bonds5

About tert-butyl N-[[1-(thiolan-3-ylmethylamino)cyclopentyl]methyl]carbamate

tert-butyl N-[[1-(thiolan-3-ylmethylamino)cyclopentyl]methyl]carbamate (PubChem CID 107166287) has the molecular formula C16H30N2O2S and a molecular weight of 314.50 g/mol. Its IUPAC name is tert-butyl N-[[1-(thiolan-3-ylmethylamino)cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(thiolan-3-ylmethylamino)cyclopentyl]methyl]carbamate
PubChem CID107166287
Molecular FormulaC16H30N2O2S
Molecular Weight314.50 g/mol
Exact Mass314.20
IUPAC Nametert-butyl N-[[1-(thiolan-3-ylmethylamino)cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(NCC2CCSC2)CCCC1
InChIInChI=1S/C16H30N2O2S/c1-15(2,3)20-14(19)17-12-16(7-4-5-8-16)18-10-13-6-9-21-11-13/h13,18H,4-12H2,1-3H3,(H,17,19)
InChIKeyMTQIKUSADQNZJZ-UHFFFAOYSA-N
XLogP3.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]amino]acetate
CID 118461025
tert-butyl N-[[1-(2-ethylbutylamino)cyclopentyl]methyl]carbamate
CID 107251928
tert-butyl 3-(thiolan-3-ylmethylamino)propanoate
CID 107166442
tert-butyl N-[(3-aminothian-3-yl)methyl]carbamate
CID 84803204
1-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 107296158
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]amino]ethyl]carbamate
CID 112555055
2-methyl-N-(thiolan-3-ylmethyl)piperidine-2-carboxamide
CID 107295961
2-[1-(thiolan-3-ylmethylcarbamoylamino)cyclohexyl]acetic acid
CID 107297576
tert-butyl N-[8-(thiolan-3-ylmethylamino)-2-oxabicyclo[4.2.0]octan-7-yl]carbamate
CID 107255682
tert-butyl N-[(4-hydroxy-4-methylcyclohexyl)methyl]carbamate
CID 86647903

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(thiolan-3-ylmethylamino)cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(thiolan-3-ylmethylamino)cyclopentyl]methyl]carbamate (CID 107166287) is tert-butyl N-[[1-(thiolan-3-ylmethylamino)cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(thiolan-3-ylmethylamino)cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(thiolan-3-ylmethylamino)cyclopentyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1(NCC2CCSC2)CCCC1.
What is the InChIKey of tert-butyl N-[[1-(thiolan-3-ylmethylamino)cyclopentyl]methyl]carbamate?
The InChIKey is MTQIKUSADQNZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2S/c1-15(2,3)20-14(19)17-12-16(7-4-5-8-16)18-10-13-6-9-21-11-13/h13,18H,4-12H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[[1-(thiolan-3-ylmethylamino)cyclopentyl]methyl]carbamate?
tert-butyl N-[[1-(thiolan-3-ylmethylamino)cyclopentyl]methyl]carbamate has a molecular weight of 314.50 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(thiolan-3-ylmethylamino)cyclopentyl]methyl]carbamate is sourced from PubChem (CID 107166287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).