2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-N-propan-2-ylacetamide

C13H26N2O2S — CID 114234985

IUPAC2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-N-propan-2-ylacetamide
SMILESCCNC(CSCC(=O)NC(C)C)C1CCOC1
InChIInChI=1S/C13H26N2O2S/c1-4-14-12(11-5-6-17-7-11)8-18-9-13(16)15-10(2)3/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyZPLMEOPHBRWTRJ-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.26
Rot. Bonds8

About 2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-N-propan-2-ylacetamide

2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-N-propan-2-ylacetamide (PubChem CID 114234985) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-N-propan-2-ylacetamide
PubChem CID114234985
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-N-propan-2-ylacetamide
SMILESCCNC(CSCC(=O)NC(C)C)C1CCOC1
InChIInChI=1S/C13H26N2O2S/c1-4-14-12(11-5-6-17-7-11)8-18-9-13(16)15-10(2)3/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyZPLMEOPHBRWTRJ-UHFFFAOYSA-N
XLogP1.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 113449540
2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanyl-N-methylacetamide
CID 114232165
2-[1-(oxolan-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 115707603
N-ethyl-2-(3-methylcyclohexyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755637
N-ethyl-1-(oxan-4-yl)-2-propylsulfanylethanamine
CID 65129097
N-ethyl-1-(oxolan-3-yl)-2-phenylsulfanylethanamine
CID 65143618
N-ethyl-1-(oxolan-3-yl)pentan-1-amine
CID 65330630
N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755175
N-ethyl-2-(4-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 66070583
1-methyl-3-[1-(oxolan-3-yl)propyl]urea
CID 131131539
N-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(oxolan-3-yl)ethanamine
CID 104756053
N-ethyl-2-[1-(oxolan-3-yl)ethylamino]acetamide
CID 115707073

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-N-propan-2-ylacetamide (CID 114234985) is 2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-N-propan-2-ylacetamide is CCNC(CSCC(=O)NC(C)C)C1CCOC1.
What is the InChIKey of 2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-N-propan-2-ylacetamide?
The InChIKey is ZPLMEOPHBRWTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-4-14-12(11-5-6-17-7-11)8-18-9-13(16)15-10(2)3/h10-12,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-N-propan-2-ylacetamide?
2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-N-propan-2-ylacetamide has a molecular weight of 274.43 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-N-propan-2-ylacetamide is sourced from PubChem (CID 114234985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).