2-amino-2-methyl-4-(2-methyloxolan-3-yl)sulfanylbutanamide

C10H20N2O2S — CID 107755170

IUPAC2-amino-2-methyl-4-(2-methyloxolan-3-yl)sulfanylbutanamide
SMILESCC1OCCC1SCCC(C)(N)C(N)=O
InChIInChI=1S/C10H20N2O2S/c1-7-8(3-5-14-7)15-6-4-10(2,12)9(11)13/h7-8H,3-6,12H2,1-2H3,(H2,11,13)
InChIKeyVRXYRVHBZLCZBL-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.49
Rot. Bonds5

About 2-amino-2-methyl-4-(2-methyloxolan-3-yl)sulfanylbutanamide

2-amino-2-methyl-4-(2-methyloxolan-3-yl)sulfanylbutanamide (PubChem CID 107755170) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(2-methyloxolan-3-yl)sulfanylbutanamide.

Molecular Properties

Compound Name2-amino-2-methyl-4-(2-methyloxolan-3-yl)sulfanylbutanamide
PubChem CID107755170
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-amino-2-methyl-4-(2-methyloxolan-3-yl)sulfanylbutanamide
SMILESCC1OCCC1SCCC(C)(N)C(N)=O
InChIInChI=1S/C10H20N2O2S/c1-7-8(3-5-14-7)15-6-4-10(2,12)9(11)13/h7-8H,3-6,12H2,1-2H3,(H2,11,13)
InChIKeyVRXYRVHBZLCZBL-UHFFFAOYSA-N
XLogP0.49
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4-(2-methoxyethylsulfanyl)-2-methylbutanamide
CID 61931755
2-Amino-2-methyl-5-(oxan-4-ylsulfanyl)pentanamide
CID 62989265
2-Amino-2-methyl-4-(oxan-4-ylsulfanyl)butanamide
CID 62991055
2-Amino-4-(3-methoxypropylsulfanyl)-2-methylbutanamide
CID 63855975
2-Amino-2-methyl-4-(oxan-4-ylsulfanyl)pentanamide
CID 64705337
2-(2-Methyloxolan-3-yl)sulfanylbutanamide
CID 103847327
2-Amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)butanamide
CID 106495546
2-Amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)pentanamide
CID 106495566
2-Amino-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanamide
CID 106495577
2-Methyl-2-(methylamino)-4-(oxolan-2-ylmethylsulfanyl)butanamide
CID 106495603
2-Amino-2-methyl-5-(oxolan-2-ylmethylsulfanyl)pentanamide
CID 106495609
2-Amino-4-(oxolan-2-ylmethylsulfanyl)butanamide
CID 106495623

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-(2-methyloxolan-3-yl)sulfanylbutanamide?
The IUPAC name of 2-amino-2-methyl-4-(2-methyloxolan-3-yl)sulfanylbutanamide (CID 107755170) is 2-amino-2-methyl-4-(2-methyloxolan-3-yl)sulfanylbutanamide.
What is the SMILES notation for 2-amino-2-methyl-4-(2-methyloxolan-3-yl)sulfanylbutanamide?
The canonical SMILES for 2-amino-2-methyl-4-(2-methyloxolan-3-yl)sulfanylbutanamide is CC1OCCC1SCCC(C)(N)C(N)=O.
What is the InChIKey of 2-amino-2-methyl-4-(2-methyloxolan-3-yl)sulfanylbutanamide?
The InChIKey is VRXYRVHBZLCZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-7-8(3-5-14-7)15-6-4-10(2,12)9(11)13/h7-8H,3-6,12H2,1-2H3,(H2,11,13).
What are the key properties of 2-amino-2-methyl-4-(2-methyloxolan-3-yl)sulfanylbutanamide?
2-amino-2-methyl-4-(2-methyloxolan-3-yl)sulfanylbutanamide has a molecular weight of 232.35 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(2-methyloxolan-3-yl)sulfanylbutanamide is sourced from PubChem (CID 107755170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).