tert-butyl N-methyl-N-[2-[methyl(thiomorpholine-4-carbonyl)amino]ethyl]carbamate

C14H27N3O3S — CID 18988036

IUPACtert-butyl N-methyl-N-[2-[methyl(thiomorpholine-4-carbonyl)amino]ethyl]carbamate
SMILESCN(CCN(C)C(=O)N1CCSCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H27N3O3S/c1-14(2,3)20-13(19)16(5)7-6-15(4)12(18)17-8-10-21-11-9-17/h6-11H2,1-5H3
InChIKeyODOJJYBRZGEQSU-UHFFFAOYSA-N
MW317.46 g/mol
LogP1.95
Rot. Bonds3

About tert-butyl N-methyl-N-[2-[methyl(thiomorpholine-4-carbonyl)amino]ethyl]carbamate

tert-butyl N-methyl-N-[2-[methyl(thiomorpholine-4-carbonyl)amino]ethyl]carbamate (PubChem CID 18988036) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-[methyl(thiomorpholine-4-carbonyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-[methyl(thiomorpholine-4-carbonyl)amino]ethyl]carbamate
PubChem CID18988036
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC Nametert-butyl N-methyl-N-[2-[methyl(thiomorpholine-4-carbonyl)amino]ethyl]carbamate
SMILESCN(CCN(C)C(=O)N1CCSCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H27N3O3S/c1-14(2,3)20-13(19)16(5)7-6-15(4)12(18)17-8-10-21-11-9-17/h6-11H2,1-5H3
InChIKeyODOJJYBRZGEQSU-UHFFFAOYSA-N
XLogP1.95
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-methyl-N-[4-[methyl(morpholine-4-carbonyl)amino]butyl]carbamate
CID 19753787
tert-butyl 1,4,7,10-tetrathia-13-azacyclopentadecane-13-carboxylate
CID 166609732
piperidin-1-ylmethyl N-methyl-N-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
CID 175702306
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium
CID 7006641
tert-butyl N-[2-[[amino(thiomorpholin-4-yl)methylidene]amino]ethyl]-N-propylcarbamate
CID 109377923
tert-butyl N-[2-[[amino(thiomorpholin-4-yl)methylidene]amino]ethyl]-N-cyclopropylcarbamate
CID 111097601
tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498
tert-butyl N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-methylcarbamate
CID 146498260
tert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate
CID 159187536
tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane
CID 163221568
tert-butyl N-[2-[[amino(thiomorpholin-4-yl)methylidene]amino]ethyl]-N-cyclopropylcarbamate;hydroiodide
CID 111097600
3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 6991933

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-[methyl(thiomorpholine-4-carbonyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-[methyl(thiomorpholine-4-carbonyl)amino]ethyl]carbamate (CID 18988036) is tert-butyl N-methyl-N-[2-[methyl(thiomorpholine-4-carbonyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-[methyl(thiomorpholine-4-carbonyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-[methyl(thiomorpholine-4-carbonyl)amino]ethyl]carbamate is CN(CCN(C)C(=O)N1CCSCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-[methyl(thiomorpholine-4-carbonyl)amino]ethyl]carbamate?
The InChIKey is ODOJJYBRZGEQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-14(2,3)20-13(19)16(5)7-6-15(4)12(18)17-8-10-21-11-9-17/h6-11H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[2-[methyl(thiomorpholine-4-carbonyl)amino]ethyl]carbamate?
tert-butyl N-methyl-N-[2-[methyl(thiomorpholine-4-carbonyl)amino]ethyl]carbamate has a molecular weight of 317.46 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-[methyl(thiomorpholine-4-carbonyl)amino]ethyl]carbamate is sourced from PubChem (CID 18988036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).