ethyl N-(thian-4-yl)carbamate

C8H15NO2S — CID 115599837

IUPACethyl N-(thian-4-yl)carbamate
SMILESCCOC(=O)NC1CCSCC1
InChIInChI=1S/C8H15NO2S/c1-2-11-8(10)9-7-3-5-12-6-4-7/h7H,2-6H2,1H3,(H,9,10)
InChIKeyFGACITIYIAFZEX-UHFFFAOYSA-N
MW189.28 g/mol
LogP1.63
Rot. Bonds2

About ethyl N-(thian-4-yl)carbamate

ethyl N-(thian-4-yl)carbamate (PubChem CID 115599837) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is ethyl N-(thian-4-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(thian-4-yl)carbamate
PubChem CID115599837
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Nameethyl N-(thian-4-yl)carbamate
SMILESCCOC(=O)NC1CCSCC1
InChIInChI=1S/C8H15NO2S/c1-2-11-8(10)9-7-3-5-12-6-4-7/h7H,2-6H2,1H3,(H,9,10)
InChIKeyFGACITIYIAFZEX-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

ethyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653652
2-amino-N-(thian-4-yl)butanamide
CID 115734007
ethyl N-(1-methylpiperidin-4-yl)carbamate
CID 58960911
ethyl N-(4-oxocyclohexyl)carbamate
CID 12546192
(2S)-2-amino-N-(thian-4-yl)butanamide;hydrochloride
CID 119313238
ethyl N-(4-hydroxy-4-methylcyclohexyl)carbamate
CID 22273026
ethyl N-(4-propylcyclohexyl)carbamate
CID 61381222
ethyl N-(1-cyclopropylpiperidin-4-yl)carbamate
CID 60709264
ethyl N-pyrrolidin-3-ylcarbamate
CID 11321104
ethyl N-(4-butylcyclohexyl)carbamate
CID 145473547
(2S,3S)-2-amino-3-methyl-N-(thian-4-yl)pentanamide
CID 103833033
ethyl N-(1,3-dioxan-5-yl)carbamate
CID 67075992

Frequently Asked Questions

What is the IUPAC name of ethyl N-(thian-4-yl)carbamate?
The IUPAC name of ethyl N-(thian-4-yl)carbamate (CID 115599837) is ethyl N-(thian-4-yl)carbamate.
What is the SMILES notation for ethyl N-(thian-4-yl)carbamate?
The canonical SMILES for ethyl N-(thian-4-yl)carbamate is CCOC(=O)NC1CCSCC1.
What is the InChIKey of ethyl N-(thian-4-yl)carbamate?
The InChIKey is FGACITIYIAFZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-2-11-8(10)9-7-3-5-12-6-4-7/h7H,2-6H2,1H3,(H,9,10).
What are the key properties of ethyl N-(thian-4-yl)carbamate?
ethyl N-(thian-4-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 ethyl N-(thian-4-yl)carbamate is sourced from PubChem (CID 115599837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).