propan-2-yl N-(thiolan-3-yl)carbamate

C8H15NO2S — CID 103062730

IUPACpropan-2-yl N-(thiolan-3-yl)carbamate
SMILESCC(C)OC(=O)NC1CCSC1
InChIInChI=1S/C8H15NO2S/c1-6(2)11-8(10)9-7-3-4-12-5-7/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKeyOXODIPPPHWKCDE-UHFFFAOYSA-N
MW189.28 g/mol
LogP1.63
Rot. Bonds2

About propan-2-yl N-(thiolan-3-yl)carbamate

propan-2-yl N-(thiolan-3-yl)carbamate (PubChem CID 103062730) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is propan-2-yl N-(thiolan-3-yl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(thiolan-3-yl)carbamate
PubChem CID103062730
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Namepropan-2-yl N-(thiolan-3-yl)carbamate
SMILESCC(C)OC(=O)NC1CCSC1
InChIInChI=1S/C8H15NO2S/c1-6(2)11-8(10)9-7-3-4-12-5-7/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKeyOXODIPPPHWKCDE-UHFFFAOYSA-N
XLogP1.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Thiophenecarbamic acid, tetrahydro-, propyl ester, 1,1-dioxide
CID 2831208
cis-4-Methoxycarbonylamino-3-hydroxythiophan
CID 12203569
trans-4-Methoxycarbonylamino-3-hydroxythiophan
CID 12203570
3-Amino-4-ethoxycarbonylaminotetrahydrothiophene
CID 45119393
8-Amino-4-ethoxycarbonylaminotetrahydro-thiophene
CID 129799637
4-Ethoxycarbonylaminotetrahydro-3-hydroxythiophene
CID 129873299
2,2,2-trifluoroethyl N-(thiolan-3-yl)carbamate
CID 103713727
(1,1-dioxothiolan-3-yl) N-propylcarbamate
CID 307374
methyl [(3S,4R)-4-hydroxytetrahydrothiophen-3-yl]carbamate
CID 11859956
(3R,4S)-4-((ethoxycarbonyl)amino)tetrahydrothiophen-3-yl acetate
CID 7154829
tert-butyl N-(1-methylthiolan-1-ium-3-yl)carbamate
CID 88744185
tert-butyl N-[(3S)-thiolan-3-yl]carbamate
CID 15148694

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(thiolan-3-yl)carbamate?
The IUPAC name of propan-2-yl N-(thiolan-3-yl)carbamate (CID 103062730) is propan-2-yl N-(thiolan-3-yl)carbamate.
What is the SMILES notation for propan-2-yl N-(thiolan-3-yl)carbamate?
The canonical SMILES for propan-2-yl N-(thiolan-3-yl)carbamate is CC(C)OC(=O)NC1CCSC1.
What is the InChIKey of propan-2-yl N-(thiolan-3-yl)carbamate?
The InChIKey is OXODIPPPHWKCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-6(2)11-8(10)9-7-3-4-12-5-7/h6-7H,3-5H2,1-2H3,(H,9,10).
What are the key properties of propan-2-yl N-(thiolan-3-yl)carbamate?
propan-2-yl N-(thiolan-3-yl)carbamate has a molecular weight of 189.28 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(thiolan-3-yl)carbamate is sourced from PubChem (CID 103062730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).