3-[methyl(2-methylpropyl)amino]butanethioamide

C9H20N2S — CID 60913501

IUPAC3-[methyl(2-methylpropyl)amino]butanethioamide
SMILESCC(C)CN(C)C(C)CC(N)=S
InChIInChI=1S/C9H20N2S/c1-7(2)6-11(4)8(3)5-9(10)12/h7-8H,5-6H2,1-4H3,(H2,10,12)
InChIKeyIDJZUDVDTHBJEW-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.64
Rot. Bonds5

About 3-[methyl(2-methylpropyl)amino]butanethioamide

3-[methyl(2-methylpropyl)amino]butanethioamide (PubChem CID 60913501) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is 3-[methyl(2-methylpropyl)amino]butanethioamide.

Molecular Properties

Compound Name3-[methyl(2-methylpropyl)amino]butanethioamide
PubChem CID60913501
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name3-[methyl(2-methylpropyl)amino]butanethioamide
SMILESCC(C)CN(C)C(C)CC(N)=S
InChIInChI=1S/C9H20N2S/c1-7(2)6-11(4)8(3)5-9(10)12/h7-8H,5-6H2,1-4H3,(H2,10,12)
InChIKeyIDJZUDVDTHBJEW-UHFFFAOYSA-N
XLogP1.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-hydroxyethyl(methyl)amino]butanethioamide
CID 60961415
3-[methyl(2-methylsulfanylethyl)amino]butanethioamide
CID 112659818
3-[decyl(methyl)amino]butanethioamide
CID 63512531
3-[hexyl(methyl)amino]butanethioamide
CID 63223651
3-[(3-hydroxy-3-methylbutyl)-methylamino]butanethioamide
CID 79355892
3-[butan-2-yl(methyl)amino]butanethioamide
CID 60913502
3-[methyl(2-methylpropyl)amino]butanoic acid
CID 43537457
3-[methyl(2-propylsulfonylethyl)amino]butanethioamide
CID 106724853
3-(diethylamino)butanethioamide
CID 60913330
2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N-methylacetamide
CID 60913837
3-[1-(dimethylamino)propan-2-yl-ethylamino]butanethioamide
CID 103189028
3-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-2,2-dimethylpropanoic acid
CID 79624612

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-methylpropyl)amino]butanethioamide?
The IUPAC name of 3-[methyl(2-methylpropyl)amino]butanethioamide (CID 60913501) is 3-[methyl(2-methylpropyl)amino]butanethioamide.
What is the SMILES notation for 3-[methyl(2-methylpropyl)amino]butanethioamide?
The canonical SMILES for 3-[methyl(2-methylpropyl)amino]butanethioamide is CC(C)CN(C)C(C)CC(N)=S.
What is the InChIKey of 3-[methyl(2-methylpropyl)amino]butanethioamide?
The InChIKey is IDJZUDVDTHBJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-7(2)6-11(4)8(3)5-9(10)12/h7-8H,5-6H2,1-4H3,(H2,10,12).
What are the key properties of 3-[methyl(2-methylpropyl)amino]butanethioamide?
3-[methyl(2-methylpropyl)amino]butanethioamide has a molecular weight of 188.34 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-methylpropyl)amino]butanethioamide is sourced from PubChem (CID 60913501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).