tert-butyl N-(thian-3-yl)carbamate

C10H19NO2S — CID 14024569

IUPACtert-butyl N-(thian-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCSC1
InChIInChI=1S/C10H19NO2S/c1-10(2,3)13-9(12)11-8-5-4-6-14-7-8/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyAEVCVARKGWXBSM-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.41
Rot. Bonds1

About tert-butyl N-(thian-3-yl)carbamate

tert-butyl N-(thian-3-yl)carbamate (PubChem CID 14024569) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is tert-butyl N-(thian-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(thian-3-yl)carbamate
PubChem CID14024569
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Nametert-butyl N-(thian-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCSC1
InChIInChI=1S/C10H19NO2S/c1-10(2,3)13-9(12)11-8-5-4-6-14-7-8/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyAEVCVARKGWXBSM-UHFFFAOYSA-N
XLogP2.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(3S)-thiolan-3-yl]carbamate
CID 15148694
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
3-[(2-methylpropan-2-yl)oxycarbonylamino]thiane-4-carboxylic acid
CID 21362472
tert-butyl N-(oxan-3-yl)carbamate
CID 63789746
tert-butyl N-[(1R,3S)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclohexyl]carbamate
CID 129446084
2-(tert-butylamino)-N-(thian-3-yl)acetamide
CID 115674777
tert-butyl (4S)-4-[[(3S)-thian-3-yl]amino]azepane-1-carboxylate
CID 99718881
tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate
CID 148734897
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-(4-aminocyclooctyl)carbamate
CID 147656644
tert-butyl N-[(3R,4R)-3-formylthian-4-yl]carbamate
CID 59095027
tert-butyl N-[4-[(5,5-dimethylthian-3-yl)amino]cyclohexyl]carbamate
CID 107241721

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(thian-3-yl)carbamate?
The IUPAC name of tert-butyl N-(thian-3-yl)carbamate (CID 14024569) is tert-butyl N-(thian-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(thian-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(thian-3-yl)carbamate is CC(C)(C)OC(=O)NC1CCCSC1.
What is the InChIKey of tert-butyl N-(thian-3-yl)carbamate?
The InChIKey is AEVCVARKGWXBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-10(2,3)13-9(12)11-8-5-4-6-14-7-8/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of tert-butyl N-(thian-3-yl)carbamate?
tert-butyl N-(thian-3-yl)carbamate has a molecular weight of 217.33 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(thian-3-yl)carbamate is sourced from PubChem (CID 14024569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).