2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butanamide

C11H22N2O2S — CID 106495560

IUPAC2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butanamide
SMILESCCNC(CCSCC1CCCO1)C(N)=O
InChIInChI=1S/C11H22N2O2S/c1-2-13-10(11(12)14)5-7-16-8-9-4-3-6-15-9/h9-10,13H,2-8H2,1H3,(H2,12,14)
InChIKeyRHRBKKHTOBJBTI-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.75
Rot. Bonds8

About 2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butanamide

2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butanamide (PubChem CID 106495560) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butanamide.

Molecular Properties

Compound Name2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butanamide
PubChem CID106495560
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butanamide
SMILESCCNC(CCSCC1CCCO1)C(N)=O
InChIInChI=1S/C11H22N2O2S/c1-2-13-10(11(12)14)5-7-16-8-9-4-3-6-15-9/h9-10,13H,2-8H2,1H3,(H2,12,14)
InChIKeyRHRBKKHTOBJBTI-UHFFFAOYSA-N
XLogP0.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butan-1-ol
CID 106497590
methyl 2-(methylamino)-4-(oxolan-2-ylmethylsulfanyl)butanoate
CID 106495709
2-(oxolan-2-ylmethylamino)heptanamide
CID 61006217
methyl 4-ethylsulfanyl-2-(oxolan-2-ylmethylamino)butanoate
CID 116504345
N-[2-(oxolan-2-ylmethylsulfanyl)ethyl]pentan-2-amine
CID 106495839
2-(ethylamino)-2-methyl-4-(oxolan-2-ylmethylsulfanyl)butanoic acid
CID 106495705
3-(oxolan-2-ylmethylsulfanyl)-N-propan-2-ylpropan-1-amine
CID 106495335
ethyl 2-(ethylamino)-2-methyl-4-(oxolan-2-ylmethylsulfanyl)butanoate
CID 106495604
2-(cyclopropylamino)-4-(oxolan-2-ylmethylsulfanyl)butan-1-ol
CID 106497539
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
4-(oxan-2-ylmethoxy)-2-(propylamino)butanamide
CID 55144151
2-ethyl-5-(oxolan-2-ylmethylsulfanyl)-2-(propan-2-ylamino)pentanoic acid
CID 106807669

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butanamide?
The IUPAC name of 2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butanamide (CID 106495560) is 2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butanamide.
What is the SMILES notation for 2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butanamide?
The canonical SMILES for 2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butanamide is CCNC(CCSCC1CCCO1)C(N)=O.
What is the InChIKey of 2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butanamide?
The InChIKey is RHRBKKHTOBJBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-2-13-10(11(12)14)5-7-16-8-9-4-3-6-15-9/h9-10,13H,2-8H2,1H3,(H2,12,14).
What are the key properties of 2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butanamide?
2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butanamide has a molecular weight of 246.38 g/mol, XLogP of 0.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butanamide is sourced from PubChem (CID 106495560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).