2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N,N-dimethylpropanamide

C10H21N3OS — CID 63224012

IUPAC2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N,N-dimethylpropanamide
SMILESCC(CC(N)=S)N(C)C(C)C(=O)N(C)C
InChIInChI=1S/C10H21N3OS/c1-7(6-9(11)15)13(5)8(2)10(14)12(3)4/h7-8H,6H2,1-5H3,(H2,11,15)
InChIKeyKZHMYQDZIMAYTN-UHFFFAOYSA-N
MW231.36 g/mol
LogP0.46
Rot. Bonds5

About 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N,N-dimethylpropanamide

2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N,N-dimethylpropanamide (PubChem CID 63224012) has the molecular formula C10H21N3OS and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N,N-dimethylpropanamide
PubChem CID63224012
Molecular FormulaC10H21N3OS
Molecular Weight231.36 g/mol
Exact Mass231.14
IUPAC Name2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N,N-dimethylpropanamide
SMILESCC(CC(N)=S)N(C)C(C)C(=O)N(C)C
InChIInChI=1S/C10H21N3OS/c1-7(6-9(11)15)13(5)8(2)10(14)12(3)4/h7-8H,6H2,1-5H3,(H2,11,15)
InChIKeyKZHMYQDZIMAYTN-UHFFFAOYSA-N
XLogP0.46
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 50.46
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-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N-propylpropanamide
CID 63224149
3-[butan-2-yl(methyl)amino]butanethioamide
CID 60913502
N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylformamide
CID 64991857
3-(diethylamino)butanethioamide
CID 60913330
2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N-methylacetamide
CID 60913837
3-[2-hydroxyethyl(methyl)amino]butanethioamide
CID 60961415
3-[methyl(2-methylpropyl)amino]butanethioamide
CID 60913501
3-[dimethylsulfamoyl(methyl)amino]butanethioamide
CID 63223961
3-[1-(2-chlorophenyl)ethyl-methylamino]butanethioamide
CID 62980396
methyl 3-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]propanoate
CID 63948089
3-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-2,2-dimethylpropanoic acid
CID 79624612
(2S)-N,N,2-trimethylbutanediamide
CID 89208905

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N,N-dimethylpropanamide (CID 63224012) is 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N,N-dimethylpropanamide is CC(CC(N)=S)N(C)C(C)C(=O)N(C)C.
What is the InChIKey of 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N,N-dimethylpropanamide?
The InChIKey is KZHMYQDZIMAYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3OS/c1-7(6-9(11)15)13(5)8(2)10(14)12(3)4/h7-8H,6H2,1-5H3,(H2,11,15).
What are the key properties of 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N,N-dimethylpropanamide?
2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N,N-dimethylpropanamide has a molecular weight of 231.36 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 63224012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).