4-(dimethylamino)butanethioamide;hydrochloride

C6H15ClN2S — CID 18941076

IUPAC4-(dimethylamino)butanethioamide;hydrochloride
SMILESCN(C)CCCC(N)=S.Cl
InChIInChI=1S/C6H14N2S.ClH/c1-8(2)5-3-4-6(7)9;/h3-5H2,1-2H3,(H2,7,9);1H
InChIKeyBPUSHGYVSXUFIH-UHFFFAOYSA-N
MW182.72 g/mol
LogP1.04
Rot. Bonds4

About 4-(dimethylamino)butanethioamide;hydrochloride

4-(dimethylamino)butanethioamide;hydrochloride (PubChem CID 18941076) has the molecular formula C6H15ClN2S and a molecular weight of 182.72 g/mol. Its IUPAC name is 4-(dimethylamino)butanethioamide;hydrochloride.

Molecular Properties

Compound Name4-(dimethylamino)butanethioamide;hydrochloride
PubChem CID18941076
Molecular FormulaC6H15ClN2S
Molecular Weight182.72 g/mol
Exact Mass182.06
IUPAC Name4-(dimethylamino)butanethioamide;hydrochloride
SMILESCN(C)CCCC(N)=S.Cl
InChIInChI=1S/C6H14N2S.ClH/c1-8(2)5-3-4-6(7)9;/h3-5H2,1-2H3,(H2,7,9);1H
InChIKeyBPUSHGYVSXUFIH-UHFFFAOYSA-N
XLogP1.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.72
LogP ≤ 51.04
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

5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pentanethioamide
CID 55011429
pentanethioamide;hydrochloride
CID 140974365
4-[3-methoxypropyl(methyl)amino]butanethioamide
CID 62986050
4-(dimethylamino)-N'-hydroxybutanimidamide
CID 74314081
N-(3-amino-3-sulfanylidenepropyl)-3-[3-(dimethylamino)propyl-methylamino]-N-methylpropanamide
CID 55225987
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505
N-(3-amino-3-sulfanylidenepropyl)-N-[3-(dimethylamino)propyl]-2-methoxyacetamide
CID 82104066
5-(dimethylamino)-2-methylidenepentanamide
CID 18359659
3-[dodecyl(methyl)amino]propanethioamide
CID 63515133
bis(N',N'-dimethylpropane-1,3-diamine);dihydrochloride
CID 173033128
3-(dimethylamino)propanimidamide;dihydrochloride
CID 47002520
1-amino-5-(dimethylamino)pentan-2-one
CID 160666073

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)butanethioamide;hydrochloride?
The IUPAC name of 4-(dimethylamino)butanethioamide;hydrochloride (CID 18941076) is 4-(dimethylamino)butanethioamide;hydrochloride.
What is the SMILES notation for 4-(dimethylamino)butanethioamide;hydrochloride?
The canonical SMILES for 4-(dimethylamino)butanethioamide;hydrochloride is CN(C)CCCC(N)=S.Cl.
What is the InChIKey of 4-(dimethylamino)butanethioamide;hydrochloride?
The InChIKey is BPUSHGYVSXUFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S.ClH/c1-8(2)5-3-4-6(7)9;/h3-5H2,1-2H3,(H2,7,9);1H.
What are the key properties of 4-(dimethylamino)butanethioamide;hydrochloride?
4-(dimethylamino)butanethioamide;hydrochloride has a molecular weight of 182.72 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)butanethioamide;hydrochloride is sourced from PubChem (CID 18941076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).