2-amino-N-(1,4-dithian-2-ylmethyl)-2-(oxan-4-yl)acetamide

C12H22N2O2S2 — CID 120793542

IUPAC2-amino-N-(1,4-dithian-2-ylmethyl)-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)NCC1CSCCS1)C1CCOCC1
InChIInChI=1S/C12H22N2O2S2/c13-11(9-1-3-16-4-2-9)12(15)14-7-10-8-17-5-6-18-10/h9-11H,1-8,13H2,(H,14,15)
InChIKeyTYGYKRDOLWRTFU-UHFFFAOYSA-N
MW290.45 g/mol
LogP0.71
Rot. Bonds4

About 2-amino-N-(1,4-dithian-2-ylmethyl)-2-(oxan-4-yl)acetamide

2-amino-N-(1,4-dithian-2-ylmethyl)-2-(oxan-4-yl)acetamide (PubChem CID 120793542) has the molecular formula C12H22N2O2S2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-amino-N-(1,4-dithian-2-ylmethyl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(1,4-dithian-2-ylmethyl)-2-(oxan-4-yl)acetamide
PubChem CID120793542
Molecular FormulaC12H22N2O2S2
Molecular Weight290.45 g/mol
Exact Mass290.11
IUPAC Name2-amino-N-(1,4-dithian-2-ylmethyl)-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)NCC1CSCCS1)C1CCOCC1
InChIInChI=1S/C12H22N2O2S2/c13-11(9-1-3-16-4-2-9)12(15)14-7-10-8-17-5-6-18-10/h9-11H,1-8,13H2,(H,14,15)
InChIKeyTYGYKRDOLWRTFU-UHFFFAOYSA-N
XLogP0.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide;hydrochloride
CID 119788294
(2R)-2-amino-N-(1,4-dithian-2-ylmethyl)propanamide;hydrochloride
CID 119326363
(2R)-2-amino-N-(1,4-dithian-2-ylmethyl)butanamide
CID 104866324
(2R)-N-(1,4-dithian-2-ylmethyl)-2-hydroxypropanamide
CID 130686027
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-methylpentanamide
CID 103833140
2-amino-2-(oxan-4-yl)-N-propylacetamide
CID 120783160
2-amino-N-(3,4-dihydro-1H-isothiochromen-1-ylmethyl)-2-(oxan-4-yl)acetamide
CID 120795350
N-(1-adamantylmethyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783429
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-phenylpropanamide
CID 103797022
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119326352
2-amino-N-(2,2-diethylbutyl)-2-(oxan-4-yl)acetamide
CID 120796618
2-amino-N-(2-cyclohexylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787635

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,4-dithian-2-ylmethyl)-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-(1,4-dithian-2-ylmethyl)-2-(oxan-4-yl)acetamide (CID 120793542) is 2-amino-N-(1,4-dithian-2-ylmethyl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(1,4-dithian-2-ylmethyl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(1,4-dithian-2-ylmethyl)-2-(oxan-4-yl)acetamide is NC(C(=O)NCC1CSCCS1)C1CCOCC1.
What is the InChIKey of 2-amino-N-(1,4-dithian-2-ylmethyl)-2-(oxan-4-yl)acetamide?
The InChIKey is TYGYKRDOLWRTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S2/c13-11(9-1-3-16-4-2-9)12(15)14-7-10-8-17-5-6-18-10/h9-11H,1-8,13H2,(H,14,15).
What are the key properties of 2-amino-N-(1,4-dithian-2-ylmethyl)-2-(oxan-4-yl)acetamide?
2-amino-N-(1,4-dithian-2-ylmethyl)-2-(oxan-4-yl)acetamide has a molecular weight of 290.45 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,4-dithian-2-ylmethyl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120793542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).