ethane;1-methyl-4-[2-(sulfamoylamino)ethyl]piperidine

C10H25N3O2S — CID 162521956

IUPACethane;1-methyl-4-[2-(sulfamoylamino)ethyl]piperidine
SMILESCC.CN1CCC(CCNS(N)(=O)=O)CC1
InChIInChI=1S/C8H19N3O2S.C2H6/c1-11-6-3-8(4-7-11)2-5-10-14(9,12)13;1-2/h8,10H,2-7H2,1H3,(H2,9,12,13);1-2H3
InChIKeyCKKJSRRQXJACLD-UHFFFAOYSA-N
MW251.40 g/mol
LogP0.54
Rot. Bonds4

About ethane;1-methyl-4-[2-(sulfamoylamino)ethyl]piperidine

ethane;1-methyl-4-[2-(sulfamoylamino)ethyl]piperidine (PubChem CID 162521956) has the molecular formula C10H25N3O2S and a molecular weight of 251.40 g/mol. Its IUPAC name is ethane;1-methyl-4-[2-(sulfamoylamino)ethyl]piperidine.

Molecular Properties

Compound Nameethane;1-methyl-4-[2-(sulfamoylamino)ethyl]piperidine
PubChem CID162521956
Molecular FormulaC10H25N3O2S
Molecular Weight251.40 g/mol
Exact Mass251.17
IUPAC Nameethane;1-methyl-4-[2-(sulfamoylamino)ethyl]piperidine
SMILESCC.CN1CCC(CCNS(N)(=O)=O)CC1
InChIInChI=1S/C8H19N3O2S.C2H6/c1-11-6-3-8(4-7-11)2-5-10-14(9,12)13;1-2/h8,10H,2-7H2,1H3,(H2,9,12,13);1-2H3
InChIKeyCKKJSRRQXJACLD-UHFFFAOYSA-N
XLogP0.54
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-[2-(sulfamoylamino)ethyl]piperidine?
The IUPAC name of ethane;1-methyl-4-[2-(sulfamoylamino)ethyl]piperidine (CID 162521956) is ethane;1-methyl-4-[2-(sulfamoylamino)ethyl]piperidine.
What is the SMILES notation for ethane;1-methyl-4-[2-(sulfamoylamino)ethyl]piperidine?
The canonical SMILES for ethane;1-methyl-4-[2-(sulfamoylamino)ethyl]piperidine is CC.CN1CCC(CCNS(N)(=O)=O)CC1.
What is the InChIKey of ethane;1-methyl-4-[2-(sulfamoylamino)ethyl]piperidine?
The InChIKey is CKKJSRRQXJACLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S.C2H6/c1-11-6-3-8(4-7-11)2-5-10-14(9,12)13;1-2/h8,10H,2-7H2,1H3,(H2,9,12,13);1-2H3.
What are the key properties of ethane;1-methyl-4-[2-(sulfamoylamino)ethyl]piperidine?
ethane;1-methyl-4-[2-(sulfamoylamino)ethyl]piperidine has a molecular weight of 251.40 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-[2-(sulfamoylamino)ethyl]piperidine is sourced from PubChem (CID 162521956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).