5-[ethyl(oxolan-2-ylmethyl)amino]-2,2-dimethylpentanethioamide

C14H28N2OS — CID 65260037

IUPAC5-[ethyl(oxolan-2-ylmethyl)amino]-2,2-dimethylpentanethioamide
SMILESCCN(CCCC(C)(C)C(N)=S)CC1CCCO1
InChIInChI=1S/C14H28N2OS/c1-4-16(11-12-7-5-10-17-12)9-6-8-14(2,3)13(15)18/h12H,4-11H2,1-3H3,(H2,15,18)
InChIKeyBKMTXYHTUHYXFU-UHFFFAOYSA-N
MW272.46 g/mol
LogP2.58
Rot. Bonds8

About 5-[ethyl(oxolan-2-ylmethyl)amino]-2,2-dimethylpentanethioamide

5-[ethyl(oxolan-2-ylmethyl)amino]-2,2-dimethylpentanethioamide (PubChem CID 65260037) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is 5-[ethyl(oxolan-2-ylmethyl)amino]-2,2-dimethylpentanethioamide.

Molecular Properties

Compound Name5-[ethyl(oxolan-2-ylmethyl)amino]-2,2-dimethylpentanethioamide
PubChem CID65260037
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name5-[ethyl(oxolan-2-ylmethyl)amino]-2,2-dimethylpentanethioamide
SMILESCCN(CCCC(C)(C)C(N)=S)CC1CCCO1
InChIInChI=1S/C14H28N2OS/c1-4-16(11-12-7-5-10-17-12)9-6-8-14(2,3)13(15)18/h12H,4-11H2,1-3H3,(H2,15,18)
InChIKeyBKMTXYHTUHYXFU-UHFFFAOYSA-N
XLogP2.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate
CID 61434381
N-(3-aminopropyl)-3-[ethyl(oxolan-2-ylmethyl)amino]-N-methylpropanamide
CID 61433794
2-[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65497652
2-[ethyl-[2-(oxolan-2-yl)ethyl]amino]ethanethioamide
CID 65161112
N'-(oxolan-2-ylmethyl)-N'-propylpropane-1,3-diamine
CID 43137301
2-[2-[ethyl(oxolan-2-ylmethyl)amino]ethoxy]benzenecarbothioamide
CID 61434361
N',2-diethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
CID 81079200
2,2-dimethyl-6-[methyl(oxan-2-ylmethyl)amino]hexanimidamide
CID 106712008
N-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62554036
N-ethyl-N-(oxolan-2-ylmethyl)-2-piperazin-1-ylethanamine
CID 54983931
N'-ethyl-N-(4-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 55090223
methyl 2-(cyclopropylamino)-4-[ethyl(oxolan-2-ylmethyl)amino]butanoate
CID 63055508

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(oxolan-2-ylmethyl)amino]-2,2-dimethylpentanethioamide?
The IUPAC name of 5-[ethyl(oxolan-2-ylmethyl)amino]-2,2-dimethylpentanethioamide (CID 65260037) is 5-[ethyl(oxolan-2-ylmethyl)amino]-2,2-dimethylpentanethioamide.
What is the SMILES notation for 5-[ethyl(oxolan-2-ylmethyl)amino]-2,2-dimethylpentanethioamide?
The canonical SMILES for 5-[ethyl(oxolan-2-ylmethyl)amino]-2,2-dimethylpentanethioamide is CCN(CCCC(C)(C)C(N)=S)CC1CCCO1.
What is the InChIKey of 5-[ethyl(oxolan-2-ylmethyl)amino]-2,2-dimethylpentanethioamide?
The InChIKey is BKMTXYHTUHYXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-4-16(11-12-7-5-10-17-12)9-6-8-14(2,3)13(15)18/h12H,4-11H2,1-3H3,(H2,15,18).
What are the key properties of 5-[ethyl(oxolan-2-ylmethyl)amino]-2,2-dimethylpentanethioamide?
5-[ethyl(oxolan-2-ylmethyl)amino]-2,2-dimethylpentanethioamide has a molecular weight of 272.46 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(oxolan-2-ylmethyl)amino]-2,2-dimethylpentanethioamide is sourced from PubChem (CID 65260037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).