4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanethioamide

C13H28N2OS — CID 65249083

IUPAC4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanethioamide
SMILESCCC(C)N(CCOC)CCC(C)(C)C(N)=S
InChIInChI=1S/C13H28N2OS/c1-6-11(2)15(9-10-16-5)8-7-13(3,4)12(14)17/h11H,6-10H2,1-5H3,(H2,14,17)
InChIKeyIALQKYLKITYBMR-UHFFFAOYSA-N
MW260.45 g/mol
LogP2.44
Rot. Bonds9

About 4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanethioamide

4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanethioamide (PubChem CID 65249083) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is 4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanethioamide.

Molecular Properties

Compound Name4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanethioamide
PubChem CID65249083
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC Name4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanethioamide
SMILESCCC(C)N(CCOC)CCC(C)(C)C(N)=S
InChIInChI=1S/C13H28N2OS/c1-6-11(2)15(9-10-16-5)8-7-13(3,4)12(14)17/h11H,6-10H2,1-5H3,(H2,14,17)
InChIKeyIALQKYLKITYBMR-UHFFFAOYSA-N
XLogP2.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.44
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

4-[butan-2-yl(ethyl)amino]-2,2-dimethylbutanethioamide
CID 65246972
4-[butan-2-yl(butyl)amino]-2,2-dimethylbutanethioamide
CID 65249143
4-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylbutanethioamide
CID 65248683
4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanoic acid
CID 65247850
4-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide
CID 82951402
2-amino-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2-methylbutan-1-ol
CID 64827580
4-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethylbutanethioamide
CID 65248852
2,2-dimethyl-4-[methyl(2-propan-2-yloxyethyl)amino]butanethioamide
CID 81055852
5-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64828176
3-amino-N-(2-methoxyethyl)-2,2-dimethyl-N-propan-2-yl-3-sulfanylidenepropanamide
CID 82948415
(2S)-1-[butan-2-yl(2-methoxyethyl)amino]propan-2-ol
CID 103935046
3-[2-methoxyethyl(pentan-2-yl)amino]propanethioamide
CID 107895715

Frequently Asked Questions

What is the IUPAC name of 4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanethioamide?
The IUPAC name of 4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanethioamide (CID 65249083) is 4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanethioamide.
What is the SMILES notation for 4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanethioamide?
The canonical SMILES for 4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanethioamide is CCC(C)N(CCOC)CCC(C)(C)C(N)=S.
What is the InChIKey of 4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanethioamide?
The InChIKey is IALQKYLKITYBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2OS/c1-6-11(2)15(9-10-16-5)8-7-13(3,4)12(14)17/h11H,6-10H2,1-5H3,(H2,14,17).
What are the key properties of 4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanethioamide?
4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanethioamide has a molecular weight of 260.45 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanethioamide is sourced from PubChem (CID 65249083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).