4-amino-2-methyl-6-methylsulfanylhexan-3-one;ethane

C10H23NOS — CID 142239470

IUPAC4-amino-2-methyl-6-methylsulfanylhexan-3-one;ethane
SMILESCC.CSCCC(N)C(=O)C(C)C
InChIInChI=1S/C8H17NOS.C2H6/c1-6(2)8(10)7(9)4-5-11-3;1-2/h6-7H,4-5,9H2,1-3H3;1-2H3
InChIKeySHSLWCCIMHDHQB-UHFFFAOYSA-N
MW205.37 g/mol
LogP2.32
Rot. Bonds5

About 4-amino-2-methyl-6-methylsulfanylhexan-3-one;ethane

4-amino-2-methyl-6-methylsulfanylhexan-3-one;ethane (PubChem CID 142239470) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 4-amino-2-methyl-6-methylsulfanylhexan-3-one;ethane.

Molecular Properties

Compound Name4-amino-2-methyl-6-methylsulfanylhexan-3-one;ethane
PubChem CID142239470
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name4-amino-2-methyl-6-methylsulfanylhexan-3-one;ethane
SMILESCC.CSCCC(N)C(=O)C(C)C
InChIInChI=1S/C8H17NOS.C2H6/c1-6(2)8(10)7(9)4-5-11-3;1-2/h6-7H,4-5,9H2,1-3H3;1-2H3
InChIKeySHSLWCCIMHDHQB-UHFFFAOYSA-N
XLogP2.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
CID 131708710
(2R)-2-(15N)azanyl-4-methylsulfanylbutanoic acid
CID 150150636
(2S)-2-amino-4-methylsulfanylbutanoic acid
CID 6137
2-amino-4-(113C)methylsulfanylbutanoic acid
CID 15556496
2-amino-4-methylsulfanylbutanoic acid
CID 876
potassium;sodium;2-amino-4-methylsulfanylbutanoic acid;hydride
CID 175209594
4-amino-6-hydroxy-2-methylhexan-3-one
CID 88980975
CID 172908207
CID 172908207
2-amino-4-methylsulfanylbutanoate;hydron
CID 135373086
(2S)-2-amino-4-methylsulfanylbutanamide;cobalt
CID 174423954
(2S)-2-amino-4-methylsulfanylbutanoic acid;molybdenum
CID 174796438
(2S)-2-amino-4-methylsulfanylbutanoic acid;copper
CID 87289409

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-6-methylsulfanylhexan-3-one;ethane?
The IUPAC name of 4-amino-2-methyl-6-methylsulfanylhexan-3-one;ethane (CID 142239470) is 4-amino-2-methyl-6-methylsulfanylhexan-3-one;ethane.
What is the SMILES notation for 4-amino-2-methyl-6-methylsulfanylhexan-3-one;ethane?
The canonical SMILES for 4-amino-2-methyl-6-methylsulfanylhexan-3-one;ethane is CC.CSCCC(N)C(=O)C(C)C.
What is the InChIKey of 4-amino-2-methyl-6-methylsulfanylhexan-3-one;ethane?
The InChIKey is SHSLWCCIMHDHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS.C2H6/c1-6(2)8(10)7(9)4-5-11-3;1-2/h6-7H,4-5,9H2,1-3H3;1-2H3.
What are the key properties of 4-amino-2-methyl-6-methylsulfanylhexan-3-one;ethane?
4-amino-2-methyl-6-methylsulfanylhexan-3-one;ethane has a molecular weight of 205.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-6-methylsulfanylhexan-3-one;ethane is sourced from PubChem (CID 142239470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).