N-[1-(2-aminoethyl)piperidin-4-yl]-1-methylsulfonylmethanesulfonamide

C9H21N3O4S2 — CID 82840219

IUPACN-[1-(2-aminoethyl)piperidin-4-yl]-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)NC1CCN(CCN)CC1
InChIInChI=1S/C9H21N3O4S2/c1-17(13,14)8-18(15,16)11-9-2-5-12(6-3-9)7-4-10/h9,11H,2-8,10H2,1H3
InChIKeyXOWDEJKTLUGPJT-UHFFFAOYSA-N
MW299.42 g/mol
LogP-1.67
Rot. Bonds6

About N-[1-(2-aminoethyl)piperidin-4-yl]-1-methylsulfonylmethanesulfonamide

N-[1-(2-aminoethyl)piperidin-4-yl]-1-methylsulfonylmethanesulfonamide (PubChem CID 82840219) has the molecular formula C9H21N3O4S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[1-(2-aminoethyl)piperidin-4-yl]-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-aminoethyl)piperidin-4-yl]-1-methylsulfonylmethanesulfonamide
PubChem CID82840219
Molecular FormulaC9H21N3O4S2
Molecular Weight299.42 g/mol
Exact Mass299.10
IUPAC NameN-[1-(2-aminoethyl)piperidin-4-yl]-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)NC1CCN(CCN)CC1
InChIInChI=1S/C9H21N3O4S2/c1-17(13,14)8-18(15,16)11-9-2-5-12(6-3-9)7-4-10/h9,11H,2-8,10H2,1H3
InChIKeyXOWDEJKTLUGPJT-UHFFFAOYSA-N
XLogP-1.67
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminoethyl)piperidin-4-yl]-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-[1-(2-aminoethyl)piperidin-4-yl]-1-methylsulfonylmethanesulfonamide (CID 82840219) is N-[1-(2-aminoethyl)piperidin-4-yl]-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-[1-(2-aminoethyl)piperidin-4-yl]-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-[1-(2-aminoethyl)piperidin-4-yl]-1-methylsulfonylmethanesulfonamide is CS(=O)(=O)CS(=O)(=O)NC1CCN(CCN)CC1.
What is the InChIKey of N-[1-(2-aminoethyl)piperidin-4-yl]-1-methylsulfonylmethanesulfonamide?
The InChIKey is XOWDEJKTLUGPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O4S2/c1-17(13,14)8-18(15,16)11-9-2-5-12(6-3-9)7-4-10/h9,11H,2-8,10H2,1H3.
What are the key properties of N-[1-(2-aminoethyl)piperidin-4-yl]-1-methylsulfonylmethanesulfonamide?
N-[1-(2-aminoethyl)piperidin-4-yl]-1-methylsulfonylmethanesulfonamide has a molecular weight of 299.42 g/mol, XLogP of -1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminoethyl)piperidin-4-yl]-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 82840219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).