2-thiomorpholin-4-ylethyl N-phenylcarbamate

C13H18N2O2S — CID 102093124

IUPAC2-thiomorpholin-4-ylethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCCN1CCSCC1
InChIInChI=1S/C13H18N2O2S/c16-13(14-12-4-2-1-3-5-12)17-9-6-15-7-10-18-11-8-15/h1-5H,6-11H2,(H,14,16)
InChIKeyKVBBJEDMCHXBCS-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.28
Rot. Bonds4

About 2-thiomorpholin-4-ylethyl N-phenylcarbamate

2-thiomorpholin-4-ylethyl N-phenylcarbamate (PubChem CID 102093124) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-thiomorpholin-4-ylethyl N-phenylcarbamate.

Molecular Properties

Compound Name2-thiomorpholin-4-ylethyl N-phenylcarbamate
PubChem CID102093124
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name2-thiomorpholin-4-ylethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCCN1CCSCC1
InChIInChI=1S/C13H18N2O2S/c16-13(14-12-4-2-1-3-5-12)17-9-6-15-7-10-18-11-8-15/h1-5H,6-11H2,(H,14,16)
InChIKeyKVBBJEDMCHXBCS-UHFFFAOYSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxopyrrolidin-1-yl)ethyl N-phenylcarbamate
CID 117060433
4-O-(2-anilinoethyl) 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-(2-thiomorpholin-4-ylethyl) (E)-but-2-enedioate
CID 145160262
2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
CID 4644419
2-thiomorpholin-4-ylethyl 2-iodobenzoate
CID 146365991
N-phenyl-2-(2-thiomorpholin-4-ylethylamino)propanamide
CID 106325114
2-(2-thiomorpholin-4-ylethoxy)benzoic acid
CID 43532595
2-nitroethyl N-phenylcarbamate
CID 154110399
8-(phenylcarbamoyloxy)octa-3,5-diynyl N-phenylcarbamate
CID 15528686
2-piperidin-1-ylethyl N-(3-phenylmethoxyphenyl)carbamate;hydrochloride
CID 138398426
ethane;1-phenyl-3-thiomorpholin-4-ylpropan-1-one
CID 91194535
3-piperidin-1-ylpropyl N-(4-phenoxyphenyl)carbamate
CID 11035624
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 55410705

Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-4-ylethyl N-phenylcarbamate?
The IUPAC name of 2-thiomorpholin-4-ylethyl N-phenylcarbamate (CID 102093124) is 2-thiomorpholin-4-ylethyl N-phenylcarbamate.
What is the SMILES notation for 2-thiomorpholin-4-ylethyl N-phenylcarbamate?
The canonical SMILES for 2-thiomorpholin-4-ylethyl N-phenylcarbamate is O=C(Nc1ccccc1)OCCN1CCSCC1.
What is the InChIKey of 2-thiomorpholin-4-ylethyl N-phenylcarbamate?
The InChIKey is KVBBJEDMCHXBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c16-13(14-12-4-2-1-3-5-12)17-9-6-15-7-10-18-11-8-15/h1-5H,6-11H2,(H,14,16).
What are the key properties of 2-thiomorpholin-4-ylethyl N-phenylcarbamate?
2-thiomorpholin-4-ylethyl N-phenylcarbamate has a molecular weight of 266.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-4-ylethyl N-phenylcarbamate is sourced from PubChem (CID 102093124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).