3-(ethylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide

C15H28N2O2S — CID 62838859

IUPAC3-(ethylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide
SMILESCCNC(C)CC(=O)N(CC1CCCO1)C1CCSC1
InChIInChI=1S/C15H28N2O2S/c1-3-16-12(2)9-15(18)17(13-6-8-20-11-13)10-14-5-4-7-19-14/h12-14,16H,3-11H2,1-2H3
InChIKeyWBLFUOZKMFBPIB-UHFFFAOYSA-N
MW300.47 g/mol
LogP1.89
Rot. Bonds7

About 3-(ethylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide

3-(ethylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide (PubChem CID 62838859) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 3-(ethylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide
PubChem CID62838859
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC Name3-(ethylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide
SMILESCCNC(C)CC(=O)N(CC1CCCO1)C1CCSC1
InChIInChI=1S/C15H28N2O2S/c1-3-16-12(2)9-15(18)17(13-6-8-20-11-13)10-14-5-4-7-19-14/h12-14,16H,3-11H2,1-2H3
InChIKeyWBLFUOZKMFBPIB-UHFFFAOYSA-N
XLogP1.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide?
The IUPAC name of 3-(ethylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide (CID 62838859) is 3-(ethylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide.
What is the SMILES notation for 3-(ethylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide?
The canonical SMILES for 3-(ethylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide is CCNC(C)CC(=O)N(CC1CCCO1)C1CCSC1.
What is the InChIKey of 3-(ethylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide?
The InChIKey is WBLFUOZKMFBPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c1-3-16-12(2)9-15(18)17(13-6-8-20-11-13)10-14-5-4-7-19-14/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 3-(ethylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide?
3-(ethylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide has a molecular weight of 300.47 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide is sourced from PubChem (CID 62838859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).