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

C12H26N4O2S — CID 28940560

IUPACN-[4-(aminomethyl)-1-methylpiperidin-4-yl]piperidine-1-sulfonamide
SMILESCN1CCC(CN)(NS(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C12H26N4O2S/c1-15-9-5-12(11-13,6-10-15)14-19(17,18)16-7-3-2-4-8-16/h14H,2-11,13H2,1H3
InChIKeyNNMHCGIMXLDYII-UHFFFAOYSA-N
MW290.43 g/mol
LogP-0.27
Rot. Bonds4

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

N-[4-(aminomethyl)-1-methylpiperidin-4-yl]piperidine-1-sulfonamide (PubChem CID 28940560) has the molecular formula C12H26N4O2S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-methylpiperidin-4-yl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpiperidin-4-yl]piperidine-1-sulfonamide
PubChem CID28940560
Molecular FormulaC12H26N4O2S
Molecular Weight290.43 g/mol
Exact Mass290.18
IUPAC NameN-[4-(aminomethyl)-1-methylpiperidin-4-yl]piperidine-1-sulfonamide
SMILESCN1CCC(CN)(NS(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C12H26N4O2S/c1-15-9-5-12(11-13,6-10-15)14-19(17,18)16-7-3-2-4-8-16/h14H,2-11,13H2,1H3
InChIKeyNNMHCGIMXLDYII-UHFFFAOYSA-N
XLogP-0.27
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 5-0.27
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]piperidine-1-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]piperidine-1-sulfonamide (CID 28940560) is N-[4-(aminomethyl)-1-methylpiperidin-4-yl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpiperidin-4-yl]piperidine-1-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpiperidin-4-yl]piperidine-1-sulfonamide is CN1CCC(CN)(NS(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]piperidine-1-sulfonamide?
The InChIKey is NNMHCGIMXLDYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2S/c1-15-9-5-12(11-13,6-10-15)14-19(17,18)16-7-3-2-4-8-16/h14H,2-11,13H2,1H3.
What are the key properties of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]piperidine-1-sulfonamide?
N-[4-(aminomethyl)-1-methylpiperidin-4-yl]piperidine-1-sulfonamide has a molecular weight of 290.43 g/mol, XLogP of -0.27, 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]piperidine-1-sulfonamide is sourced from PubChem (CID 28940560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).