N-methyl-2-[[(2R)-oxan-2-yl]methylsulfanyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide

C15H23NO2S2 — CID 124606298

IUPACN-methyl-2-[[(2R)-oxan-2-yl]methylsulfanyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@@H](c1cccs1)N(C)C(=O)CSC[C@H]1CCCCO1
InChIInChI=1S/C15H23NO2S2/c1-12(14-7-5-9-20-14)16(2)15(17)11-19-10-13-6-3-4-8-18-13/h5,7,9,12-13H,3-4,6,8,10-11H2,1-2H3/t12-,13+/m0/s1
InChIKeyJWBCVMWQWOFFBU-QWHCGFSZSA-N
MW313.49 g/mol
LogP3.57
Rot. Bonds6

About N-methyl-2-[[(2R)-oxan-2-yl]methylsulfanyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide

N-methyl-2-[[(2R)-oxan-2-yl]methylsulfanyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide (PubChem CID 124606298) has the molecular formula C15H23NO2S2 and a molecular weight of 313.49 g/mol. Its IUPAC name is N-methyl-2-[[(2R)-oxan-2-yl]methylsulfanyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[[(2R)-oxan-2-yl]methylsulfanyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
PubChem CID124606298
Molecular FormulaC15H23NO2S2
Molecular Weight313.49 g/mol
Exact Mass313.12
IUPAC NameN-methyl-2-[[(2R)-oxan-2-yl]methylsulfanyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@@H](c1cccs1)N(C)C(=O)CSC[C@H]1CCCCO1
InChIInChI=1S/C15H23NO2S2/c1-12(14-7-5-9-20-14)16(2)15(17)11-19-10-13-6-3-4-8-18-13/h5,7,9,12-13H,3-4,6,8,10-11H2,1-2H3/t12-,13+/m0/s1
InChIKeyJWBCVMWQWOFFBU-QWHCGFSZSA-N
XLogP3.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[(2R)-oxan-2-yl]oxy-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 99718585
(1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81409334
N-methyl-2-piperidin-3-yl-N-(1-thiophen-2-ylethyl)acetamide
CID 62674552
1-N-methyl-1-N-(oxan-2-ylmethyl)-1-thiophen-2-ylpropane-1,2-diamine
CID 55021814
1-[methyl(1-thiophen-2-ylethyl)carbamoyl]azepane-2-carboxylic acid
CID 64561952
N-methyl-N-(1-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 115575769
2-amino-N-[2-(oxan-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 114136015
2-(azetidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 64610778
(2R)-N-methyl-N-(1-thiophen-2-ylethyl)piperidine-2-carboxamide
CID 104913432
(1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81408382
N-(dithiophen-2-ylmethyl)-2-(oxolan-2-yl)acetamide
CID 56793867
methyl 1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 56790668

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[(2R)-oxan-2-yl]methylsulfanyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The IUPAC name of N-methyl-2-[[(2R)-oxan-2-yl]methylsulfanyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide (CID 124606298) is N-methyl-2-[[(2R)-oxan-2-yl]methylsulfanyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for N-methyl-2-[[(2R)-oxan-2-yl]methylsulfanyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The canonical SMILES for N-methyl-2-[[(2R)-oxan-2-yl]methylsulfanyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide is C[C@@H](c1cccs1)N(C)C(=O)CSC[C@H]1CCCCO1.
What is the InChIKey of N-methyl-2-[[(2R)-oxan-2-yl]methylsulfanyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The InChIKey is JWBCVMWQWOFFBU-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H23NO2S2/c1-12(14-7-5-9-20-14)16(2)15(17)11-19-10-13-6-3-4-8-18-13/h5,7,9,12-13H,3-4,6,8,10-11H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of N-methyl-2-[[(2R)-oxan-2-yl]methylsulfanyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
N-methyl-2-[[(2R)-oxan-2-yl]methylsulfanyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide has a molecular weight of 313.49 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[(2R)-oxan-2-yl]methylsulfanyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 124606298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).