ethyl N-(2,2-dimethylthietan-3-yl)carbamate

C8H15NO2S — CID 130725515

IUPACethyl N-(2,2-dimethylthietan-3-yl)carbamate
SMILESCCOC(=O)NC1CSC1(C)C
InChIInChI=1S/C8H15NO2S/c1-4-11-7(10)9-6-5-12-8(6,2)3/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeySYHOSZWDOPOZPE-UHFFFAOYSA-N
MW189.28 g/mol
LogP1.63
Rot. Bonds2

About ethyl N-(2,2-dimethylthietan-3-yl)carbamate

ethyl N-(2,2-dimethylthietan-3-yl)carbamate (PubChem CID 130725515) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is ethyl N-(2,2-dimethylthietan-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(2,2-dimethylthietan-3-yl)carbamate
PubChem CID130725515
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Nameethyl N-(2,2-dimethylthietan-3-yl)carbamate
SMILESCCOC(=O)NC1CSC1(C)C
InChIInChI=1S/C8H15NO2S/c1-4-11-7(10)9-6-5-12-8(6,2)3/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeySYHOSZWDOPOZPE-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-(3-amino-2,2-dimethylcyclobutyl)carbamate
CID 114632504
N-(2,2-dimethylthietan-3-yl)-2-methylbutanamide
CID 126989201
trans-(1S,2S)-N-(2,2-dimethylthietan-3-yl)-2-methylcyclopropane-1-carboxamide
CID 127004064
2-amino-N-(2,2-dimethylthietan-3-yl)propanamide
CID 127011786
ethyl N-(4-methylthiolan-3-yl)carbamate
CID 130684389
(2S)-N-(2,2-dimethylthietan-3-yl)-2-hydroxypropanamide
CID 130639197
2-bromo-N-(2,2-dimethylthietan-3-yl)propanamide
CID 131010692
ethyl N-(4-hydroxy-4-methylcyclohexyl)carbamate
CID 22273026
ethyl N-(thian-4-yl)carbamate
CID 115599837
ethyl N-[4-(2-chloroacetyl)-4-methyloxolan-3-yl]carbamate
CID 104701145
(3S,4R)-4-(ethoxycarbonylamino)thiolane-3-carboxylic acid
CID 18653264
ethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate
CID 130751480

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2,2-dimethylthietan-3-yl)carbamate?
The IUPAC name of ethyl N-(2,2-dimethylthietan-3-yl)carbamate (CID 130725515) is ethyl N-(2,2-dimethylthietan-3-yl)carbamate.
What is the SMILES notation for ethyl N-(2,2-dimethylthietan-3-yl)carbamate?
The canonical SMILES for ethyl N-(2,2-dimethylthietan-3-yl)carbamate is CCOC(=O)NC1CSC1(C)C.
What is the InChIKey of ethyl N-(2,2-dimethylthietan-3-yl)carbamate?
The InChIKey is SYHOSZWDOPOZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-4-11-7(10)9-6-5-12-8(6,2)3/h6H,4-5H2,1-3H3,(H,9,10).
What are the key properties of ethyl N-(2,2-dimethylthietan-3-yl)carbamate?
ethyl N-(2,2-dimethylthietan-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 ethyl N-(2,2-dimethylthietan-3-yl)carbamate is sourced from PubChem (CID 130725515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).