2,4-dimethyl-1-[2-(methylamino)ethylsulfonyl]piperidin-3-amine

C10H23N3O2S — CID 22291187

IUPAC2,4-dimethyl-1-[2-(methylamino)ethylsulfonyl]piperidin-3-amine
SMILESCNCCS(=O)(=O)N1CCC(C)C(N)C1C
InChIInChI=1S/C10H23N3O2S/c1-8-4-6-13(9(2)10(8)11)16(14,15)7-5-12-3/h8-10,12H,4-7,11H2,1-3H3
InChIKeyXSYZHZBNOALWSN-UHFFFAOYSA-N
MW249.38 g/mol
LogP-0.41
Rot. Bonds4

About 2,4-dimethyl-1-[2-(methylamino)ethylsulfonyl]piperidin-3-amine

2,4-dimethyl-1-[2-(methylamino)ethylsulfonyl]piperidin-3-amine (PubChem CID 22291187) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2,4-dimethyl-1-[2-(methylamino)ethylsulfonyl]piperidin-3-amine.

Molecular Properties

Compound Name2,4-dimethyl-1-[2-(methylamino)ethylsulfonyl]piperidin-3-amine
PubChem CID22291187
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name2,4-dimethyl-1-[2-(methylamino)ethylsulfonyl]piperidin-3-amine
SMILESCNCCS(=O)(=O)N1CCC(C)C(N)C1C
InChIInChI=1S/C10H23N3O2S/c1-8-4-6-13(9(2)10(8)11)16(14,15)7-5-12-3/h8-10,12H,4-7,11H2,1-3H3
InChIKeyXSYZHZBNOALWSN-UHFFFAOYSA-N
XLogP-0.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[2-(methylamino)ethylsulfonyl]piperidin-3-amine?
The IUPAC name of 2,4-dimethyl-1-[2-(methylamino)ethylsulfonyl]piperidin-3-amine (CID 22291187) is 2,4-dimethyl-1-[2-(methylamino)ethylsulfonyl]piperidin-3-amine.
What is the SMILES notation for 2,4-dimethyl-1-[2-(methylamino)ethylsulfonyl]piperidin-3-amine?
The canonical SMILES for 2,4-dimethyl-1-[2-(methylamino)ethylsulfonyl]piperidin-3-amine is CNCCS(=O)(=O)N1CCC(C)C(N)C1C.
What is the InChIKey of 2,4-dimethyl-1-[2-(methylamino)ethylsulfonyl]piperidin-3-amine?
The InChIKey is XSYZHZBNOALWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-8-4-6-13(9(2)10(8)11)16(14,15)7-5-12-3/h8-10,12H,4-7,11H2,1-3H3.
What are the key properties of 2,4-dimethyl-1-[2-(methylamino)ethylsulfonyl]piperidin-3-amine?
2,4-dimethyl-1-[2-(methylamino)ethylsulfonyl]piperidin-3-amine has a molecular weight of 249.38 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[2-(methylamino)ethylsulfonyl]piperidin-3-amine is sourced from PubChem (CID 22291187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).