3-[1-(dimethylamino)propan-2-yl-ethylamino]butanethioamide

C11H25N3S — CID 103189028

IUPAC3-[1-(dimethylamino)propan-2-yl-ethylamino]butanethioamide
SMILESCCN(C(C)CC(N)=S)C(C)CN(C)C
InChIInChI=1S/C11H25N3S/c1-6-14(9(2)7-11(12)15)10(3)8-13(4)5/h9-10H,6-8H2,1-5H3,(H2,12,15)
InChIKeyJOUDTUKKLYTNKC-UHFFFAOYSA-N
MW231.41 g/mol
LogP1.32
Rot. Bonds7

About 3-[1-(dimethylamino)propan-2-yl-ethylamino]butanethioamide

3-[1-(dimethylamino)propan-2-yl-ethylamino]butanethioamide (PubChem CID 103189028) has the molecular formula C11H25N3S and a molecular weight of 231.41 g/mol. Its IUPAC name is 3-[1-(dimethylamino)propan-2-yl-ethylamino]butanethioamide.

Molecular Properties

Compound Name3-[1-(dimethylamino)propan-2-yl-ethylamino]butanethioamide
PubChem CID103189028
Molecular FormulaC11H25N3S
Molecular Weight231.41 g/mol
Exact Mass231.18
IUPAC Name3-[1-(dimethylamino)propan-2-yl-ethylamino]butanethioamide
SMILESCCN(C(C)CC(N)=S)C(C)CN(C)C
InChIInChI=1S/C11H25N3S/c1-6-14(9(2)7-11(12)15)10(3)8-13(4)5/h9-10H,6-8H2,1-5H3,(H2,12,15)
InChIKeyJOUDTUKKLYTNKC-UHFFFAOYSA-N
XLogP1.32
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.41
LogP ≤ 51.32
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

2-[1-(dimethylamino)propan-2-yl-ethylamino]propanamide
CID 103190759
2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanethioamide
CID 103189022
3-(diethylamino)butanethioamide
CID 60913330
3-[methyl(2-methylpropyl)amino]butanethioamide
CID 60913501
3-[butan-2-yl(methyl)amino]butanethioamide
CID 60913502
3-[2-hydroxyethyl(methyl)amino]butanethioamide
CID 60961415
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]butanethioamide
CID 79381834
N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylformamide
CID 64991857
ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoate
CID 103189712
3-[decyl(methyl)amino]butanethioamide
CID 63512531
3-[methyl(2-methylsulfanylethyl)amino]butanethioamide
CID 112659818
3-[dimethylsulfamoyl(methyl)amino]butanethioamide
CID 63223961

Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylamino)propan-2-yl-ethylamino]butanethioamide?
The IUPAC name of 3-[1-(dimethylamino)propan-2-yl-ethylamino]butanethioamide (CID 103189028) is 3-[1-(dimethylamino)propan-2-yl-ethylamino]butanethioamide.
What is the SMILES notation for 3-[1-(dimethylamino)propan-2-yl-ethylamino]butanethioamide?
The canonical SMILES for 3-[1-(dimethylamino)propan-2-yl-ethylamino]butanethioamide is CCN(C(C)CC(N)=S)C(C)CN(C)C.
What is the InChIKey of 3-[1-(dimethylamino)propan-2-yl-ethylamino]butanethioamide?
The InChIKey is JOUDTUKKLYTNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3S/c1-6-14(9(2)7-11(12)15)10(3)8-13(4)5/h9-10H,6-8H2,1-5H3,(H2,12,15).
What are the key properties of 3-[1-(dimethylamino)propan-2-yl-ethylamino]butanethioamide?
3-[1-(dimethylamino)propan-2-yl-ethylamino]butanethioamide has a molecular weight of 231.41 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylamino)propan-2-yl-ethylamino]butanethioamide is sourced from PubChem (CID 103189028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).