4-(aminomethyl)piperidine-1-sulfonamide;hydrochloride

C6H16ClN3O2S — CID 154963565

IUPAC4-(aminomethyl)piperidine-1-sulfonamide;hydrochloride
SMILESCl.NCC1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C6H15N3O2S.ClH/c7-5-6-1-3-9(4-2-6)12(8,10)11;/h6H,1-5,7H2,(H2,8,10,11);1H
InChIKeySENRZXJTZRRHGK-UHFFFAOYSA-N
MW229.73 g/mol
LogP-0.72
Rot. Bonds2

About 4-(aminomethyl)piperidine-1-sulfonamide;hydrochloride

4-(aminomethyl)piperidine-1-sulfonamide;hydrochloride (PubChem CID 154963565) has the molecular formula C6H16ClN3O2S and a molecular weight of 229.73 g/mol. Its IUPAC name is 4-(aminomethyl)piperidine-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)piperidine-1-sulfonamide;hydrochloride
PubChem CID154963565
Molecular FormulaC6H16ClN3O2S
Molecular Weight229.73 g/mol
Exact Mass229.07
IUPAC Name4-(aminomethyl)piperidine-1-sulfonamide;hydrochloride
SMILESCl.NCC1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C6H15N3O2S.ClH/c7-5-6-1-3-9(4-2-6)12(8,10)11;/h6H,1-5,7H2,(H2,8,10,11);1H
InChIKeySENRZXJTZRRHGK-UHFFFAOYSA-N
XLogP-0.72
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)piperidine-1-sulfonamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)piperidine-1-sulfonamide;hydrochloride (CID 154963565) is 4-(aminomethyl)piperidine-1-sulfonamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)piperidine-1-sulfonamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)piperidine-1-sulfonamide;hydrochloride is Cl.NCC1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-(aminomethyl)piperidine-1-sulfonamide;hydrochloride?
The InChIKey is SENRZXJTZRRHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S.ClH/c7-5-6-1-3-9(4-2-6)12(8,10)11;/h6H,1-5,7H2,(H2,8,10,11);1H.
What are the key properties of 4-(aminomethyl)piperidine-1-sulfonamide;hydrochloride?
4-(aminomethyl)piperidine-1-sulfonamide;hydrochloride has a molecular weight of 229.73 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)piperidine-1-sulfonamide;hydrochloride is sourced from PubChem (CID 154963565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).