3-[(3-methoxy-3-methylbutyl)-methylamino]butanethioamide

C11H24N2OS — CID 103033740

IUPAC3-[(3-methoxy-3-methylbutyl)-methylamino]butanethioamide
SMILESCOC(C)(C)CCN(C)C(C)CC(N)=S
InChIInChI=1S/C11H24N2OS/c1-9(8-10(12)15)13(4)7-6-11(2,3)14-5/h9H,6-8H2,1-5H3,(H2,12,15)
InChIKeyRQZXFIMYRBPLJA-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.80
Rot. Bonds7

About 3-[(3-methoxy-3-methylbutyl)-methylamino]butanethioamide

3-[(3-methoxy-3-methylbutyl)-methylamino]butanethioamide (PubChem CID 103033740) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 3-[(3-methoxy-3-methylbutyl)-methylamino]butanethioamide.

Molecular Properties

Compound Name3-[(3-methoxy-3-methylbutyl)-methylamino]butanethioamide
PubChem CID103033740
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name3-[(3-methoxy-3-methylbutyl)-methylamino]butanethioamide
SMILESCOC(C)(C)CCN(C)C(C)CC(N)=S
InChIInChI=1S/C11H24N2OS/c1-9(8-10(12)15)13(4)7-6-11(2,3)14-5/h9H,6-8H2,1-5H3,(H2,12,15)
InChIKeyRQZXFIMYRBPLJA-UHFFFAOYSA-N
XLogP1.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.80
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

3-[(3-hydroxy-3-methylbutyl)-methylamino]butanethioamide
CID 79355892
3-[2-hydroxyethyl(methyl)amino]butanethioamide
CID 60961415
methyl 3-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]propanoate
CID 63948089
3-[methyl(2-propylsulfonylethyl)amino]butanethioamide
CID 106724853
3-[methyl(2-methylpropyl)amino]butanethioamide
CID 60913501
3-[methyl(2-methylsulfanylethyl)amino]butanethioamide
CID 112659818
3-[decyl(methyl)amino]butanethioamide
CID 63512531
3-[hexyl(methyl)amino]butanethioamide
CID 63223651
4-methoxy-4-methylpentanethioamide
CID 103033672
3-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-2,2-dimethylpropanoic acid
CID 79624612
3-[3,3-dimethylbutyl(methyl)amino]butanimidamide
CID 63225019
3-methoxy-3-methylbutanethioamide
CID 123631110

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-3-methylbutyl)-methylamino]butanethioamide?
The IUPAC name of 3-[(3-methoxy-3-methylbutyl)-methylamino]butanethioamide (CID 103033740) is 3-[(3-methoxy-3-methylbutyl)-methylamino]butanethioamide.
What is the SMILES notation for 3-[(3-methoxy-3-methylbutyl)-methylamino]butanethioamide?
The canonical SMILES for 3-[(3-methoxy-3-methylbutyl)-methylamino]butanethioamide is COC(C)(C)CCN(C)C(C)CC(N)=S.
What is the InChIKey of 3-[(3-methoxy-3-methylbutyl)-methylamino]butanethioamide?
The InChIKey is RQZXFIMYRBPLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-9(8-10(12)15)13(4)7-6-11(2,3)14-5/h9H,6-8H2,1-5H3,(H2,12,15).
What are the key properties of 3-[(3-methoxy-3-methylbutyl)-methylamino]butanethioamide?
3-[(3-methoxy-3-methylbutyl)-methylamino]butanethioamide has a molecular weight of 232.39 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-3-methylbutyl)-methylamino]butanethioamide is sourced from PubChem (CID 103033740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).