N-butyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide

C10H21NO2S — CID 10082175

IUPACN-butyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide
SMILESCCCCN(C)C(=O)C(O)CCSC
InChIInChI=1S/C10H21NO2S/c1-4-5-7-11(2)10(13)9(12)6-8-14-3/h9,12H,4-8H2,1-3H3
InChIKeyNVTRKSPPJPBILZ-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.36
Rot. Bonds7

About N-butyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide

N-butyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide (PubChem CID 10082175) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-butyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide.

Molecular Properties

Compound NameN-butyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide
PubChem CID10082175
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-butyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide
SMILESCCCCN(C)C(=O)C(O)CCSC
InChIInChI=1S/C10H21NO2S/c1-4-5-7-11(2)10(13)9(12)6-8-14-3/h9,12H,4-8H2,1-3H3
InChIKeyNVTRKSPPJPBILZ-UHFFFAOYSA-N
XLogP1.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide?
The IUPAC name of N-butyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide (CID 10082175) is N-butyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide.
What is the SMILES notation for N-butyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide?
The canonical SMILES for N-butyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide is CCCCN(C)C(=O)C(O)CCSC.
What is the InChIKey of N-butyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide?
The InChIKey is NVTRKSPPJPBILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-4-5-7-11(2)10(13)9(12)6-8-14-3/h9,12H,4-8H2,1-3H3.
What are the key properties of N-butyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide?
N-butyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide has a molecular weight of 219.35 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide is sourced from PubChem (CID 10082175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).