N-(oxolan-2-ylmethyl)-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]acetamide

C16H27N3O4S — CID 163345285

IUPACN-(oxolan-2-ylmethyl)-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]acetamide
SMILESO=C(CN1CCOC(C(=O)N2CCSCC2)C1)NCC1CCCO1
InChIInChI=1S/C16H27N3O4S/c20-15(17-10-13-2-1-6-22-13)12-18-3-7-23-14(11-18)16(21)19-4-8-24-9-5-19/h13-14H,1-12H2,(H,17,20)
InChIKeyGXYDJSLAKXVMIP-UHFFFAOYSA-N
MW357.48 g/mol
LogP-0.44
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]acetamide

N-(oxolan-2-ylmethyl)-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]acetamide (PubChem CID 163345285) has the molecular formula C16H27N3O4S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]acetamide
PubChem CID163345285
Molecular FormulaC16H27N3O4S
Molecular Weight357.48 g/mol
Exact Mass357.17
IUPAC NameN-(oxolan-2-ylmethyl)-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]acetamide
SMILESO=C(CN1CCOC(C(=O)N2CCSCC2)C1)NCC1CCCO1
InChIInChI=1S/C16H27N3O4S/c20-15(17-10-13-2-1-6-22-13)12-18-3-7-23-14(11-18)16(21)19-4-8-24-9-5-19/h13-14H,1-12H2,(H,17,20)
InChIKeyGXYDJSLAKXVMIP-UHFFFAOYSA-N
XLogP-0.44
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(oxolan-2-ylmethyl)-2-[2-(piperidine-1-carbonyl)morpholin-4-yl]acetamide
CID 163345105
2-[(3R)-3-aminopyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 129381630
2-[(3S)-3-hydroxypiperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 107225746
2-(4-hydroxypiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 27070171
N-prop-2-enyl-2-[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]acetamide
CID 163352513
2-[2-(piperidine-1-carbonyl)morpholin-4-yl]-N-prop-2-enylacetamide
CID 163345086
(1S,5R)-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 122556344
1-(oxolane-2-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 113003358
N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide
CID 60504183
2-(4-formylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 62655740
2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 60500146
N-(oxolan-2-ylmethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 163344737

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]acetamide (CID 163345285) is N-(oxolan-2-ylmethyl)-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]acetamide is O=C(CN1CCOC(C(=O)N2CCSCC2)C1)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]acetamide?
The InChIKey is GXYDJSLAKXVMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4S/c20-15(17-10-13-2-1-6-22-13)12-18-3-7-23-14(11-18)16(21)19-4-8-24-9-5-19/h13-14H,1-12H2,(H,17,20).
What are the key properties of N-(oxolan-2-ylmethyl)-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]acetamide?
N-(oxolan-2-ylmethyl)-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]acetamide has a molecular weight of 357.48 g/mol, XLogP of -0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]acetamide is sourced from PubChem (CID 163345285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).