2-[(2-methyl-3-methylsulfanylpropyl)amino]-N-propylpropanamide

C11H24N2OS — CID 63966960

IUPAC2-[(2-methyl-3-methylsulfanylpropyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCC(C)CSC
InChIInChI=1S/C11H24N2OS/c1-5-6-12-11(14)10(3)13-7-9(2)8-15-4/h9-10,13H,5-8H2,1-4H3,(H,12,14)
InChIKeyIDXPBFXRMQYHGH-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.49
Rot. Bonds8

About 2-[(2-methyl-3-methylsulfanylpropyl)amino]-N-propylpropanamide

2-[(2-methyl-3-methylsulfanylpropyl)amino]-N-propylpropanamide (PubChem CID 63966960) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 2-[(2-methyl-3-methylsulfanylpropyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(2-methyl-3-methylsulfanylpropyl)amino]-N-propylpropanamide
PubChem CID63966960
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name2-[(2-methyl-3-methylsulfanylpropyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCC(C)CSC
InChIInChI=1S/C11H24N2OS/c1-5-6-12-11(14)10(3)13-7-9(2)8-15-4/h9-10,13H,5-8H2,1-4H3,(H,12,14)
InChIKeyIDXPBFXRMQYHGH-UHFFFAOYSA-N
XLogP1.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-3-methylsulfanylpropyl)-3-propylurea
CID 115624328
ethyl 2-[(2-methyl-3-methylsulfanylpropyl)amino]propanoate
CID 63964742
2-(2-cyanopropylamino)-N-propylpropanamide
CID 61477003
2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-propylpropanamide
CID 61477002
2-(3-hydroxybutylamino)-N-propylpropanamide
CID 64913708
2-methyl-3-methylsulfanyl-N-propylpropan-1-amine
CID 63981278
N-ethyl-2-(2-methylsulfanylethylamino)propanamide
CID 60672762
N-(2-methoxyethyl)-2-(2-methylbutylamino)propanamide
CID 62694565
2-methylsulfanyl-N-propylpropanamide
CID 131085433
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]propanamide
CID 60659584
2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide
CID 43781321
propan-2-yl N-(2-methyl-3-methylsulfanylpropyl)carbamate
CID 116656155

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3-methylsulfanylpropyl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(2-methyl-3-methylsulfanylpropyl)amino]-N-propylpropanamide (CID 63966960) is 2-[(2-methyl-3-methylsulfanylpropyl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(2-methyl-3-methylsulfanylpropyl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(2-methyl-3-methylsulfanylpropyl)amino]-N-propylpropanamide is CCCNC(=O)C(C)NCC(C)CSC.
What is the InChIKey of 2-[(2-methyl-3-methylsulfanylpropyl)amino]-N-propylpropanamide?
The InChIKey is IDXPBFXRMQYHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-5-6-12-11(14)10(3)13-7-9(2)8-15-4/h9-10,13H,5-8H2,1-4H3,(H,12,14).
What are the key properties of 2-[(2-methyl-3-methylsulfanylpropyl)amino]-N-propylpropanamide?
2-[(2-methyl-3-methylsulfanylpropyl)amino]-N-propylpropanamide has a molecular weight of 232.39 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3-methylsulfanylpropyl)amino]-N-propylpropanamide is sourced from PubChem (CID 63966960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).