3-(3-aminobutylsulfonyl)-N-methylpropanamide

C8H18N2O3S — CID 81193833

IUPAC3-(3-aminobutylsulfonyl)-N-methylpropanamide
SMILESCNC(=O)CCS(=O)(=O)CCC(C)N
InChIInChI=1S/C8H18N2O3S/c1-7(9)3-5-14(12,13)6-4-8(11)10-2/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyQAIYETNUXSPLLD-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.73
Rot. Bonds6

About 3-(3-aminobutylsulfonyl)-N-methylpropanamide

3-(3-aminobutylsulfonyl)-N-methylpropanamide (PubChem CID 81193833) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-(3-aminobutylsulfonyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-aminobutylsulfonyl)-N-methylpropanamide
PubChem CID81193833
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name3-(3-aminobutylsulfonyl)-N-methylpropanamide
SMILESCNC(=O)CCS(=O)(=O)CCC(C)N
InChIInChI=1S/C8H18N2O3S/c1-7(9)3-5-14(12,13)6-4-8(11)10-2/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyQAIYETNUXSPLLD-UHFFFAOYSA-N
XLogP-0.73
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminobutylsulfonyl)-N-methylpropanamide?
The IUPAC name of 3-(3-aminobutylsulfonyl)-N-methylpropanamide (CID 81193833) is 3-(3-aminobutylsulfonyl)-N-methylpropanamide.
What is the SMILES notation for 3-(3-aminobutylsulfonyl)-N-methylpropanamide?
The canonical SMILES for 3-(3-aminobutylsulfonyl)-N-methylpropanamide is CNC(=O)CCS(=O)(=O)CCC(C)N.
What is the InChIKey of 3-(3-aminobutylsulfonyl)-N-methylpropanamide?
The InChIKey is QAIYETNUXSPLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-7(9)3-5-14(12,13)6-4-8(11)10-2/h7H,3-6,9H2,1-2H3,(H,10,11).
What are the key properties of 3-(3-aminobutylsulfonyl)-N-methylpropanamide?
3-(3-aminobutylsulfonyl)-N-methylpropanamide has a molecular weight of 222.31 g/mol, XLogP of -0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminobutylsulfonyl)-N-methylpropanamide is sourced from PubChem (CID 81193833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).