N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide

C12H17NO2S2 — CID 47006892

IUPACN-(oxolan-2-ylmethyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1cccs1)NCC1CCCO1
InChIInChI=1S/C12H17NO2S2/c14-12(13-7-10-3-1-5-15-10)9-16-8-11-4-2-6-17-11/h2,4,6,10H,1,3,5,7-9H2,(H,13,14)
InChIKeyVKFNSQVTIKGFKT-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.28
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide

N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide (PubChem CID 47006892) has the molecular formula C12H17NO2S2 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
PubChem CID47006892
Molecular FormulaC12H17NO2S2
Molecular Weight271.41 g/mol
Exact Mass271.07
IUPAC NameN-(oxolan-2-ylmethyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1cccs1)NCC1CCCO1
InChIInChI=1S/C12H17NO2S2/c14-12(13-7-10-3-1-5-15-10)9-16-8-11-4-2-6-17-11/h2,4,6,10H,1,3,5,7-9H2,(H,13,14)
InChIKeyVKFNSQVTIKGFKT-UHFFFAOYSA-N
XLogP2.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide
CID 93174433
2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 15996873
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 2969276
(E)-N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 896790
4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-2-ylbutanamide
CID 2530381
N-(oxolan-2-ylmethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185585
2-[(3-carbamothioylphenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 82177610
2-[(4-nitrophenyl)methylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7334040
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 133200042
N-[[(2S)-oxolan-2-yl]methyl]-2-[(1-phenylpyrazol-3-yl)methylsulfanyl]acetamide
CID 97083267
N-[[(2S)-oxolan-2-yl]methyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9266565
1-(oxolan-2-ylmethyl)-3-(thiophen-2-ylmethyl)thiourea
CID 2956318

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide (CID 47006892) is N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide is O=C(CSCc1cccs1)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The InChIKey is VKFNSQVTIKGFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S2/c14-12(13-7-10-3-1-5-15-10)9-16-8-11-4-2-6-17-11/h2,4,6,10H,1,3,5,7-9H2,(H,13,14).
What are the key properties of N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide has a molecular weight of 271.41 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 47006892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).