2-methyl-3-(oxan-4-ylsulfanyl)-2-(propan-2-ylamino)propanamide

C12H24N2O2S — CID 62991593

IUPAC2-methyl-3-(oxan-4-ylsulfanyl)-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(C)(CSC1CCOCC1)C(N)=O
InChIInChI=1S/C12H24N2O2S/c1-9(2)14-12(3,11(13)15)8-17-10-4-6-16-7-5-10/h9-10,14H,4-8H2,1-3H3,(H2,13,15)
InChIKeyAPXSGPQWBOXSKG-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.14
Rot. Bonds6

About 2-methyl-3-(oxan-4-ylsulfanyl)-2-(propan-2-ylamino)propanamide

2-methyl-3-(oxan-4-ylsulfanyl)-2-(propan-2-ylamino)propanamide (PubChem CID 62991593) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 2-methyl-3-(oxan-4-ylsulfanyl)-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name2-methyl-3-(oxan-4-ylsulfanyl)-2-(propan-2-ylamino)propanamide
PubChem CID62991593
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name2-methyl-3-(oxan-4-ylsulfanyl)-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(C)(CSC1CCOCC1)C(N)=O
InChIInChI=1S/C12H24N2O2S/c1-9(2)14-12(3,11(13)15)8-17-10-4-6-16-7-5-10/h9-10,14H,4-8H2,1-3H3,(H2,13,15)
InChIKeyAPXSGPQWBOXSKG-UHFFFAOYSA-N
XLogP1.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxan-4-ylsulfanyl)-2-(propan-2-ylamino)propanamide?
The IUPAC name of 2-methyl-3-(oxan-4-ylsulfanyl)-2-(propan-2-ylamino)propanamide (CID 62991593) is 2-methyl-3-(oxan-4-ylsulfanyl)-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 2-methyl-3-(oxan-4-ylsulfanyl)-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 2-methyl-3-(oxan-4-ylsulfanyl)-2-(propan-2-ylamino)propanamide is CC(C)NC(C)(CSC1CCOCC1)C(N)=O.
What is the InChIKey of 2-methyl-3-(oxan-4-ylsulfanyl)-2-(propan-2-ylamino)propanamide?
The InChIKey is APXSGPQWBOXSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-9(2)14-12(3,11(13)15)8-17-10-4-6-16-7-5-10/h9-10,14H,4-8H2,1-3H3,(H2,13,15).
What are the key properties of 2-methyl-3-(oxan-4-ylsulfanyl)-2-(propan-2-ylamino)propanamide?
2-methyl-3-(oxan-4-ylsulfanyl)-2-(propan-2-ylamino)propanamide has a molecular weight of 260.40 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxan-4-ylsulfanyl)-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 62991593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).