tert-butyl N-(2-thiomorpholin-3-ylethyl)carbamate

C11H22N2O2S — CID 82384209

IUPACtert-butyl N-(2-thiomorpholin-3-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)NCCC1CSCCN1
InChIInChI=1S/C11H22N2O2S/c1-11(2,3)15-10(14)13-5-4-9-8-16-7-6-12-9/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyDEUDSMBSVYMSJN-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.61
Rot. Bonds3

About tert-butyl N-(2-thiomorpholin-3-ylethyl)carbamate

tert-butyl N-(2-thiomorpholin-3-ylethyl)carbamate (PubChem CID 82384209) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is tert-butyl N-(2-thiomorpholin-3-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-thiomorpholin-3-ylethyl)carbamate
PubChem CID82384209
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Nametert-butyl N-(2-thiomorpholin-3-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)NCCC1CSCCN1
InChIInChI=1S/C11H22N2O2S/c1-11(2,3)15-10(14)13-5-4-9-8-16-7-6-12-9/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyDEUDSMBSVYMSJN-UHFFFAOYSA-N
XLogP1.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(2-thiomorpholin-3-ylethyl)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

tert-butyl N-[2-(4-methylpiperazin-2-yl)ethyl]carbamate
CID 82386141
tert-butyl N-[2-(2-cyclopropylpyrrolidin-3-yl)ethyl]carbamate
CID 84804757
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941640
tert-butyl N-(aziridin-2-ylmethyl)carbamate
CID 87499538
tert-butyl N-[2-(3-oxopiperazin-2-yl)ethyl]carbamate
CID 83670569
N-(2-thiomorpholin-3-ylethyl)butan-1-amine
CID 66422325
2-[(2-methylpropan-2-yl)oxy]ethyl 2-thiomorpholin-3-ylacetate
CID 112588232
N-(2-hydroxy-2-methylbutyl)-2-thiomorpholin-3-ylacetamide
CID 66421910
tert-butyl N-[2-(2-hydrazinyl-4,5-dihydro-1H-imidazol-5-yl)ethyl]carbamate
CID 18432440
tert-butyl N-[2-(5-propan-2-ylazepan-4-yl)ethyl]carbamate
CID 84813188
tert-butyl N-[2-[(4,4-dimethylthian-3-yl)amino]ethyl]carbamate
CID 107241345
butanedioic acid;tert-butyl N-(2-piperidin-4-ylethyl)carbamate
CID 19020689

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-thiomorpholin-3-ylethyl)carbamate?
The IUPAC name of tert-butyl N-(2-thiomorpholin-3-ylethyl)carbamate (CID 82384209) is tert-butyl N-(2-thiomorpholin-3-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-thiomorpholin-3-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-thiomorpholin-3-ylethyl)carbamate is CC(C)(C)OC(=O)NCCC1CSCCN1.
What is the InChIKey of tert-butyl N-(2-thiomorpholin-3-ylethyl)carbamate?
The InChIKey is DEUDSMBSVYMSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-11(2,3)15-10(14)13-5-4-9-8-16-7-6-12-9/h9,12H,4-8H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-(2-thiomorpholin-3-ylethyl)carbamate?
tert-butyl N-(2-thiomorpholin-3-ylethyl)carbamate has a molecular weight of 246.38 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-thiomorpholin-3-ylethyl)carbamate is sourced from PubChem (CID 82384209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).