N-(3,3-dimethylbutyl)-3-[2-(methylamino)ethylsulfinyl]propanamide

C12H26N2O2S — CID 146579682

IUPACN-(3,3-dimethylbutyl)-3-[2-(methylamino)ethylsulfinyl]propanamide
SMILESCNCCS(=O)CCC(=O)NCCC(C)(C)C
InChIInChI=1S/C12H26N2O2S/c1-12(2,3)6-7-14-11(15)5-9-17(16)10-8-13-4/h13H,5-10H2,1-4H3,(H,14,15)
InChIKeyQAGLRDBAPIZAOS-UHFFFAOYSA-N
MW262.42 g/mol
LogP0.90
Rot. Bonds8

About N-(3,3-dimethylbutyl)-3-[2-(methylamino)ethylsulfinyl]propanamide

N-(3,3-dimethylbutyl)-3-[2-(methylamino)ethylsulfinyl]propanamide (PubChem CID 146579682) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-3-[2-(methylamino)ethylsulfinyl]propanamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-3-[2-(methylamino)ethylsulfinyl]propanamide
PubChem CID146579682
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-(3,3-dimethylbutyl)-3-[2-(methylamino)ethylsulfinyl]propanamide
SMILESCNCCS(=O)CCC(=O)NCCC(C)(C)C
InChIInChI=1S/C12H26N2O2S/c1-12(2,3)6-7-14-11(15)5-9-17(16)10-8-13-4/h13H,5-10H2,1-4H3,(H,14,15)
InChIKeyQAGLRDBAPIZAOS-UHFFFAOYSA-N
XLogP0.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide
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N-(3,3-dimethylbutyl)-4-(methylamino)butanamide
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CID 115580246
3-cyano-N-(3,3-dimethylbutyl)propanamide
CID 115173922
N-(3,3-dimethylbutyl)-2-hydroxyacetamide
CID 115140033
N-(3,3-dimethylbutyl)-11,11-dimethyl-4-oxododecanamide
CID 165080443
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
CID 155613162
N-(3-ethyl-3-hydroxypentyl)-4,4-dimethylpentanamide
CID 130469220
3-(methylamino)-N-[2-(methylamino)ethyl]propanamide
CID 59688102
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4,4-dimethylpentanamide
CID 155054535
N-[2,2-dimethyl-3-(methylamino)propyl]-4,4-dimethylpentanamide
CID 115271206

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-3-[2-(methylamino)ethylsulfinyl]propanamide?
The IUPAC name of N-(3,3-dimethylbutyl)-3-[2-(methylamino)ethylsulfinyl]propanamide (CID 146579682) is N-(3,3-dimethylbutyl)-3-[2-(methylamino)ethylsulfinyl]propanamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-3-[2-(methylamino)ethylsulfinyl]propanamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-3-[2-(methylamino)ethylsulfinyl]propanamide is CNCCS(=O)CCC(=O)NCCC(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)-3-[2-(methylamino)ethylsulfinyl]propanamide?
The InChIKey is QAGLRDBAPIZAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-12(2,3)6-7-14-11(15)5-9-17(16)10-8-13-4/h13H,5-10H2,1-4H3,(H,14,15).
What are the key properties of N-(3,3-dimethylbutyl)-3-[2-(methylamino)ethylsulfinyl]propanamide?
N-(3,3-dimethylbutyl)-3-[2-(methylamino)ethylsulfinyl]propanamide has a molecular weight of 262.42 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-3-[2-(methylamino)ethylsulfinyl]propanamide is sourced from PubChem (CID 146579682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).