3-(2,2-dimethylthiomorpholin-4-yl)propanamide

C9H18N2OS — CID 115683600

IUPAC3-(2,2-dimethylthiomorpholin-4-yl)propanamide
SMILESCC1(C)CN(CCC(N)=O)CCS1
InChIInChI=1S/C9H18N2OS/c1-9(2)7-11(5-6-13-9)4-3-8(10)12/h3-7H2,1-2H3,(H2,10,12)
InChIKeyVDMHCHWBCSYTPY-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.69
Rot. Bonds3

About 3-(2,2-dimethylthiomorpholin-4-yl)propanamide

3-(2,2-dimethylthiomorpholin-4-yl)propanamide (PubChem CID 115683600) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 3-(2,2-dimethylthiomorpholin-4-yl)propanamide.

Molecular Properties

Compound Name3-(2,2-dimethylthiomorpholin-4-yl)propanamide
PubChem CID115683600
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name3-(2,2-dimethylthiomorpholin-4-yl)propanamide
SMILESCC1(C)CN(CCC(N)=O)CCS1
InChIInChI=1S/C9H18N2OS/c1-9(2)7-11(5-6-13-9)4-3-8(10)12/h3-7H2,1-2H3,(H2,10,12)
InChIKeyVDMHCHWBCSYTPY-UHFFFAOYSA-N
XLogP0.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylthiomorpholin-4-yl)propanamide?
The IUPAC name of 3-(2,2-dimethylthiomorpholin-4-yl)propanamide (CID 115683600) is 3-(2,2-dimethylthiomorpholin-4-yl)propanamide.
What is the SMILES notation for 3-(2,2-dimethylthiomorpholin-4-yl)propanamide?
The canonical SMILES for 3-(2,2-dimethylthiomorpholin-4-yl)propanamide is CC1(C)CN(CCC(N)=O)CCS1.
What is the InChIKey of 3-(2,2-dimethylthiomorpholin-4-yl)propanamide?
The InChIKey is VDMHCHWBCSYTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-9(2)7-11(5-6-13-9)4-3-8(10)12/h3-7H2,1-2H3,(H2,10,12).
What are the key properties of 3-(2,2-dimethylthiomorpholin-4-yl)propanamide?
3-(2,2-dimethylthiomorpholin-4-yl)propanamide has a molecular weight of 202.32 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylthiomorpholin-4-yl)propanamide is sourced from PubChem (CID 115683600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).