2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-sulfonamide

C10H23N3O2S — CID 103441437

IUPAC2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NC(C)C)C(CN)C1
InChIInChI=1S/C10H23N3O2S/c1-8(2)12-16(14,15)13-5-4-9(3)6-10(13)7-11/h8-10,12H,4-7,11H2,1-3H3
InChIKeyOILHEAPASFGRHE-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.29
Rot. Bonds4

About 2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-sulfonamide

2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-sulfonamide (PubChem CID 103441437) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-sulfonamide
PubChem CID103441437
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NC(C)C)C(CN)C1
InChIInChI=1S/C10H23N3O2S/c1-8(2)12-16(14,15)13-5-4-9(3)6-10(13)7-11/h8-10,12H,4-7,11H2,1-3H3
InChIKeyOILHEAPASFGRHE-UHFFFAOYSA-N
XLogP0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-sulfonamide (CID 103441437) is 2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)NC(C)C)C(CN)C1.
What is the InChIKey of 2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
The InChIKey is OILHEAPASFGRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-8(2)12-16(14,15)13-5-4-9(3)6-10(13)7-11/h8-10,12H,4-7,11H2,1-3H3.
What are the key properties of 2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-sulfonamide has a molecular weight of 249.38 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-sulfonamide is sourced from PubChem (CID 103441437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).