N-[4-(dimethylamino)-3-hydroxybutan-2-yl]-2-methyl-3-methylsulfanylpropanamide

C11H24N2O2S — CID 18731985

IUPACN-[4-(dimethylamino)-3-hydroxybutan-2-yl]-2-methyl-3-methylsulfanylpropanamide
SMILESCSCC(C)C(=O)NC(C)C(O)CN(C)C
InChIInChI=1S/C11H24N2O2S/c1-8(7-16-5)11(15)12-9(2)10(14)6-13(3)4/h8-10,14H,6-7H2,1-5H3,(H,12,15)
InChIKeyRYHBVCOXBUEWDB-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.41
Rot. Bonds7

About N-[4-(dimethylamino)-3-hydroxybutan-2-yl]-2-methyl-3-methylsulfanylpropanamide

N-[4-(dimethylamino)-3-hydroxybutan-2-yl]-2-methyl-3-methylsulfanylpropanamide (PubChem CID 18731985) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-[4-(dimethylamino)-3-hydroxybutan-2-yl]-2-methyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3-hydroxybutan-2-yl]-2-methyl-3-methylsulfanylpropanamide
PubChem CID18731985
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-[4-(dimethylamino)-3-hydroxybutan-2-yl]-2-methyl-3-methylsulfanylpropanamide
SMILESCSCC(C)C(=O)NC(C)C(O)CN(C)C
InChIInChI=1S/C11H24N2O2S/c1-8(7-16-5)11(15)12-9(2)10(14)6-13(3)4/h8-10,14H,6-7H2,1-5H3,(H,12,15)
InChIKeyRYHBVCOXBUEWDB-UHFFFAOYSA-N
XLogP0.41
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3-hydroxybutan-2-yl]-2-methyl-3-methylsulfanylpropanamide?
The IUPAC name of N-[4-(dimethylamino)-3-hydroxybutan-2-yl]-2-methyl-3-methylsulfanylpropanamide (CID 18731985) is N-[4-(dimethylamino)-3-hydroxybutan-2-yl]-2-methyl-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[4-(dimethylamino)-3-hydroxybutan-2-yl]-2-methyl-3-methylsulfanylpropanamide?
The canonical SMILES for N-[4-(dimethylamino)-3-hydroxybutan-2-yl]-2-methyl-3-methylsulfanylpropanamide is CSCC(C)C(=O)NC(C)C(O)CN(C)C.
What is the InChIKey of N-[4-(dimethylamino)-3-hydroxybutan-2-yl]-2-methyl-3-methylsulfanylpropanamide?
The InChIKey is RYHBVCOXBUEWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-8(7-16-5)11(15)12-9(2)10(14)6-13(3)4/h8-10,14H,6-7H2,1-5H3,(H,12,15).
What are the key properties of N-[4-(dimethylamino)-3-hydroxybutan-2-yl]-2-methyl-3-methylsulfanylpropanamide?
N-[4-(dimethylamino)-3-hydroxybutan-2-yl]-2-methyl-3-methylsulfanylpropanamide has a molecular weight of 248.39 g/mol, XLogP of 0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-3-hydroxybutan-2-yl]-2-methyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 18731985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).