tert-butyl N-[(3S)-thiolan-3-yl]carbamate

C9H17NO2S — CID 15148694

IUPACtert-butyl N-[(3S)-thiolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCSC1
InChIInChI=1S/C9H17NO2S/c1-9(2,3)12-8(11)10-7-4-5-13-6-7/h7H,4-6H2,1-3H3,(H,10,11)/t7-/m0/s1
InChIKeyQEPHTDYJBATZED-ZETCQYMHSA-N
MW203.31 g/mol
LogP2.02
Rot. Bonds1

About tert-butyl N-[(3S)-thiolan-3-yl]carbamate

tert-butyl N-[(3S)-thiolan-3-yl]carbamate (PubChem CID 15148694) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is tert-butyl N-[(3S)-thiolan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-thiolan-3-yl]carbamate
PubChem CID15148694
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Nametert-butyl N-[(3S)-thiolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCSC1
InChIInChI=1S/C9H17NO2S/c1-9(2,3)12-8(11)10-7-4-5-13-6-7/h7H,4-6H2,1-3H3,(H,10,11)/t7-/m0/s1
InChIKeyQEPHTDYJBATZED-ZETCQYMHSA-N
XLogP2.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(thian-3-yl)carbamate
CID 14024569
3-[(2-methylpropan-2-yl)oxycarbonylamino]thiane-4-carboxylic acid
CID 21362472
tert-butyl N-[(3R,4R)-3-formylthian-4-yl]carbamate
CID 59095027
propan-2-yl N-(thiolan-3-yl)carbamate
CID 103062730
tert-butyl N-[(E)-4-(thiolan-3-ylamino)but-2-enyl]carbamate
CID 107253019
2-fluoro-2-methyl-N-(thiolan-3-yl)propanamide
CID 130165186
2-bromo-2-methyl-N-(thiolan-3-yl)propanamide
CID 103062720
tert-butyl N-[2-(thiolan-3-ylamino)phenyl]carbamate
CID 107240241
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thian-3-yl]carbamate
CID 21362531
tert-butyl N-[4-[(5,5-dimethylthian-3-yl)amino]cyclohexyl]carbamate
CID 107241721
tert-butyl N-[3-oxo-3-(thian-4-ylamino)propyl]carbamate
CID 115599752

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-thiolan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-thiolan-3-yl]carbamate (CID 15148694) is tert-butyl N-[(3S)-thiolan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-thiolan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-thiolan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCSC1.
What is the InChIKey of tert-butyl N-[(3S)-thiolan-3-yl]carbamate?
The InChIKey is QEPHTDYJBATZED-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-9(2,3)12-8(11)10-7-4-5-13-6-7/h7H,4-6H2,1-3H3,(H,10,11)/t7-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-thiolan-3-yl]carbamate?
tert-butyl N-[(3S)-thiolan-3-yl]carbamate has a molecular weight of 203.31 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-thiolan-3-yl]carbamate is sourced from PubChem (CID 15148694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).