N-(thian-2-ylmethyl)-2-thiomorpholin-3-ylacetamide

C12H22N2OS2 — CID 80600876

IUPACN-(thian-2-ylmethyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCC1CCCCS1
InChIInChI=1S/C12H22N2OS2/c15-12(7-10-9-16-6-4-13-10)14-8-11-3-1-2-5-17-11/h10-11,13H,1-9H2,(H,14,15)
InChIKeyBISOTEIJGNTPBI-UHFFFAOYSA-N
MW274.45 g/mol
LogP1.48
Rot. Bonds4

About N-(thian-2-ylmethyl)-2-thiomorpholin-3-ylacetamide

N-(thian-2-ylmethyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 80600876) has the molecular formula C12H22N2OS2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-(thian-2-ylmethyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(thian-2-ylmethyl)-2-thiomorpholin-3-ylacetamide
PubChem CID80600876
Molecular FormulaC12H22N2OS2
Molecular Weight274.45 g/mol
Exact Mass274.12
IUPAC NameN-(thian-2-ylmethyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCC1CCCCS1
InChIInChI=1S/C12H22N2OS2/c15-12(7-10-9-16-6-4-13-10)14-8-11-3-1-2-5-17-11/h10-11,13H,1-9H2,(H,14,15)
InChIKeyBISOTEIJGNTPBI-UHFFFAOYSA-N
XLogP1.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide
CID 66421807
N-[(1-hydroxycyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422108
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-(2-ethylsulfinylethyl)-2-thiomorpholin-3-ylacetamide
CID 115746776
N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide
CID 66421607
N-(3-cyclopentyloxypropyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938129
2-(cyclopropylmethylamino)-N-(thian-2-ylmethyl)acetamide
CID 80600083
N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935015
N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide
CID 119940576
N-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 66422483
N-(3-cyclohexyloxypropyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935650
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941344

Frequently Asked Questions

What is the IUPAC name of N-(thian-2-ylmethyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(thian-2-ylmethyl)-2-thiomorpholin-3-ylacetamide (CID 80600876) is N-(thian-2-ylmethyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(thian-2-ylmethyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(thian-2-ylmethyl)-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NCC1CCCCS1.
What is the InChIKey of N-(thian-2-ylmethyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is BISOTEIJGNTPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS2/c15-12(7-10-9-16-6-4-13-10)14-8-11-3-1-2-5-17-11/h10-11,13H,1-9H2,(H,14,15).
What are the key properties of N-(thian-2-ylmethyl)-2-thiomorpholin-3-ylacetamide?
N-(thian-2-ylmethyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 274.45 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thian-2-ylmethyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 80600876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).