ethyl N-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]carbamate

C11H23NO2S — CID 20712463

IUPACethyl N-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]carbamate
SMILESCCOC(=O)NCCSC(C)(C)C(C)C
InChIInChI=1S/C11H23NO2S/c1-6-14-10(13)12-7-8-15-11(4,5)9(2)3/h9H,6-8H2,1-5H3,(H,12,13)
InChIKeyNBICQOYVGXBSJQ-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.90
Rot. Bonds6

About ethyl N-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]carbamate

ethyl N-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]carbamate (PubChem CID 20712463) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is ethyl N-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]carbamate
PubChem CID20712463
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Nameethyl N-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]carbamate
SMILESCCOC(=O)NCCSC(C)(C)C(C)C
InChIInChI=1S/C11H23NO2S/c1-6-14-10(13)12-7-8-15-11(4,5)9(2)3/h9H,6-8H2,1-5H3,(H,12,13)
InChIKeyNBICQOYVGXBSJQ-UHFFFAOYSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl N-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-propylcarbamate
CID 12199
ethyl N-(4,4,5,5-tetramethylhexyl)carbamate
CID 59093404
ethyl N-(2-propan-2-yloxyethyl)carbamate
CID 14496147
ethyl N-[7-(ethoxycarbonylamino)-2,3-dimethylheptan-2-yl]carbamate
CID 22635139
(2S)-N-(2-tert-butylsulfanylethyl)-2-ethoxypropanamide
CID 95174714
ethyl N-[2-(methylamino)ethyl]carbamate
CID 20763174
ethyl N-[2-(2-methylpropylcarbamoylamino)ethyl]carbamate
CID 108867369
tert-butyl 2-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]propanoate
CID 86645530
ethyl N-[2-(4-methoxyphenyl)sulfanylethyl]carbamate
CID 170992735
ethyl N-[2-(1-methylsulfonylpropan-2-ylamino)ethyl]carbamate
CID 115901299
ethyl N-(4,4-dihydroxybutyl)carbamate
CID 87555159
tert-butyl N-[(5R)-5-aminohexyl]carbamate
CID 59986272

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]carbamate (CID 20712463) is ethyl N-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]carbamate is CCOC(=O)NCCSC(C)(C)C(C)C.
What is the InChIKey of ethyl N-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]carbamate?
The InChIKey is NBICQOYVGXBSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-6-14-10(13)12-7-8-15-11(4,5)9(2)3/h9H,6-8H2,1-5H3,(H,12,13).
What are the key properties of ethyl N-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]carbamate?
ethyl N-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]carbamate has a molecular weight of 233.38 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]carbamate is sourced from PubChem (CID 20712463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).