2-amino-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanamide

C9H18N2O2S — CID 106495577

IUPAC2-amino-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanamide
SMILESCC(N)(CSCC1CCCO1)C(N)=O
InChIInChI=1S/C9H18N2O2S/c1-9(11,8(10)12)6-14-5-7-3-2-4-13-7/h7H,2-6,11H2,1H3,(H2,10,12)
InChIKeyQDPYOGYYPXYVFS-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.10
Rot. Bonds5

About 2-amino-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanamide

2-amino-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanamide (PubChem CID 106495577) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-amino-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanamide
PubChem CID106495577
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name2-amino-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanamide
SMILESCC(N)(CSCC1CCCO1)C(N)=O
InChIInChI=1S/C9H18N2O2S/c1-9(11,8(10)12)6-14-5-7-3-2-4-13-7/h7H,2-6,11H2,1H3,(H2,10,12)
InChIKeyQDPYOGYYPXYVFS-UHFFFAOYSA-N
XLogP0.10
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanamide?
The IUPAC name of 2-amino-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanamide (CID 106495577) is 2-amino-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanamide.
What is the SMILES notation for 2-amino-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanamide?
The canonical SMILES for 2-amino-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanamide is CC(N)(CSCC1CCCO1)C(N)=O.
What is the InChIKey of 2-amino-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanamide?
The InChIKey is QDPYOGYYPXYVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-9(11,8(10)12)6-14-5-7-3-2-4-13-7/h7H,2-6,11H2,1H3,(H2,10,12).
What are the key properties of 2-amino-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanamide?
2-amino-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanamide has a molecular weight of 218.32 g/mol, XLogP of 0.10, 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-3-(oxolan-2-ylmethylsulfanyl)propanamide is sourced from PubChem (CID 106495577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).