2-[4-(aminomethyl)piperidin-1-yl]sulfonyl-N-methylacetamide

C9H19N3O3S — CID 130293560

IUPAC2-[4-(aminomethyl)piperidin-1-yl]sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C9H19N3O3S/c1-11-9(13)7-16(14,15)12-4-2-8(6-10)3-5-12/h8H,2-7,10H2,1H3,(H,11,13)
InChIKeyFXFBZIURGWNVOW-UHFFFAOYSA-N
MW249.34 g/mol
LogP-1.27
Rot. Bonds4

About 2-[4-(aminomethyl)piperidin-1-yl]sulfonyl-N-methylacetamide

2-[4-(aminomethyl)piperidin-1-yl]sulfonyl-N-methylacetamide (PubChem CID 130293560) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-[4-(aminomethyl)piperidin-1-yl]sulfonyl-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)piperidin-1-yl]sulfonyl-N-methylacetamide
PubChem CID130293560
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name2-[4-(aminomethyl)piperidin-1-yl]sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C9H19N3O3S/c1-11-9(13)7-16(14,15)12-4-2-8(6-10)3-5-12/h8H,2-7,10H2,1H3,(H,11,13)
InChIKeyFXFBZIURGWNVOW-UHFFFAOYSA-N
XLogP-1.27
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]sulfonyl-N-methylacetamide?
The IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]sulfonyl-N-methylacetamide (CID 130293560) is 2-[4-(aminomethyl)piperidin-1-yl]sulfonyl-N-methylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)piperidin-1-yl]sulfonyl-N-methylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)piperidin-1-yl]sulfonyl-N-methylacetamide is CNC(=O)CS(=O)(=O)N1CCC(CN)CC1.
What is the InChIKey of 2-[4-(aminomethyl)piperidin-1-yl]sulfonyl-N-methylacetamide?
The InChIKey is FXFBZIURGWNVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-11-9(13)7-16(14,15)12-4-2-8(6-10)3-5-12/h8H,2-7,10H2,1H3,(H,11,13).
What are the key properties of 2-[4-(aminomethyl)piperidin-1-yl]sulfonyl-N-methylacetamide?
2-[4-(aminomethyl)piperidin-1-yl]sulfonyl-N-methylacetamide has a molecular weight of 249.34 g/mol, XLogP of -1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)piperidin-1-yl]sulfonyl-N-methylacetamide is sourced from PubChem (CID 130293560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).