3-(2-aminopropylsulfonyl)-N,N-dimethylpropanamide

C8H18N2O3S — CID 81189559

IUPAC3-(2-aminopropylsulfonyl)-N,N-dimethylpropanamide
SMILESCC(N)CS(=O)(=O)CCC(=O)N(C)C
InChIInChI=1S/C8H18N2O3S/c1-7(9)6-14(12,13)5-4-8(11)10(2)3/h7H,4-6,9H2,1-3H3
InChIKeyOOTQZCMUHHKJSJ-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.77
Rot. Bonds5

About 3-(2-aminopropylsulfonyl)-N,N-dimethylpropanamide

3-(2-aminopropylsulfonyl)-N,N-dimethylpropanamide (PubChem CID 81189559) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-(2-aminopropylsulfonyl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(2-aminopropylsulfonyl)-N,N-dimethylpropanamide
PubChem CID81189559
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name3-(2-aminopropylsulfonyl)-N,N-dimethylpropanamide
SMILESCC(N)CS(=O)(=O)CCC(=O)N(C)C
InChIInChI=1S/C8H18N2O3S/c1-7(9)6-14(12,13)5-4-8(11)10(2)3/h7H,4-6,9H2,1-3H3
InChIKeyOOTQZCMUHHKJSJ-UHFFFAOYSA-N
XLogP-0.77
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropylsulfonyl)-N,N-dimethylpropanamide?
The IUPAC name of 3-(2-aminopropylsulfonyl)-N,N-dimethylpropanamide (CID 81189559) is 3-(2-aminopropylsulfonyl)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(2-aminopropylsulfonyl)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(2-aminopropylsulfonyl)-N,N-dimethylpropanamide is CC(N)CS(=O)(=O)CCC(=O)N(C)C.
What is the InChIKey of 3-(2-aminopropylsulfonyl)-N,N-dimethylpropanamide?
The InChIKey is OOTQZCMUHHKJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-7(9)6-14(12,13)5-4-8(11)10(2)3/h7H,4-6,9H2,1-3H3.
What are the key properties of 3-(2-aminopropylsulfonyl)-N,N-dimethylpropanamide?
3-(2-aminopropylsulfonyl)-N,N-dimethylpropanamide has a molecular weight of 222.31 g/mol, XLogP of -0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropylsulfonyl)-N,N-dimethylpropanamide is sourced from PubChem (CID 81189559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).