N-[3-(aminomethyl)pentan-3-yl]piperidine-1-sulfonamide

C11H25N3O2S — CID 61123559

IUPACN-[3-(aminomethyl)pentan-3-yl]piperidine-1-sulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H25N3O2S/c1-3-11(4-2,10-12)13-17(15,16)14-8-6-5-7-9-14/h13H,3-10,12H2,1-2H3
InChIKeyGRSKAKOAZDBWDY-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.82
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]piperidine-1-sulfonamide

N-[3-(aminomethyl)pentan-3-yl]piperidine-1-sulfonamide (PubChem CID 61123559) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]piperidine-1-sulfonamide
PubChem CID61123559
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]piperidine-1-sulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H25N3O2S/c1-3-11(4-2,10-12)13-17(15,16)14-8-6-5-7-9-14/h13H,3-10,12H2,1-2H3
InChIKeyGRSKAKOAZDBWDY-UHFFFAOYSA-N
XLogP0.82
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]piperidine-1-sulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]piperidine-1-sulfonamide (CID 61123559) is N-[3-(aminomethyl)pentan-3-yl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]piperidine-1-sulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]piperidine-1-sulfonamide is CCC(CC)(CN)NS(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]piperidine-1-sulfonamide?
The InChIKey is GRSKAKOAZDBWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-3-11(4-2,10-12)13-17(15,16)14-8-6-5-7-9-14/h13H,3-10,12H2,1-2H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]piperidine-1-sulfonamide?
N-[3-(aminomethyl)pentan-3-yl]piperidine-1-sulfonamide has a molecular weight of 263.41 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]piperidine-1-sulfonamide is sourced from PubChem (CID 61123559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).