N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide

C13H28N4O2S — CID 43119817

IUPACN-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NC2(CN)CCN(C)CC2)C1
InChIInChI=1S/C13H28N4O2S/c1-12-4-3-7-17(10-12)20(18,19)15-13(11-14)5-8-16(2)9-6-13/h12,15H,3-11,14H2,1-2H3
InChIKeyRUMMMVLFJGBQIS-UHFFFAOYSA-N
MW304.46 g/mol
LogP-0.02
Rot. Bonds4

About N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide

N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide (PubChem CID 43119817) has the molecular formula C13H28N4O2S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide
PubChem CID43119817
Molecular FormulaC13H28N4O2S
Molecular Weight304.46 g/mol
Exact Mass304.19
IUPAC NameN-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NC2(CN)CCN(C)CC2)C1
InChIInChI=1S/C13H28N4O2S/c1-12-4-3-7-17(10-12)20(18,19)15-13(11-14)5-8-16(2)9-6-13/h12,15H,3-11,14H2,1-2H3
InChIKeyRUMMMVLFJGBQIS-UHFFFAOYSA-N
XLogP-0.02
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide (CID 43119817) is N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)NC2(CN)CCN(C)CC2)C1.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide?
The InChIKey is RUMMMVLFJGBQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2S/c1-12-4-3-7-17(10-12)20(18,19)15-13(11-14)5-8-16(2)9-6-13/h12,15H,3-11,14H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide?
N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide has a molecular weight of 304.46 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 43119817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).