N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-2-methylpiperidine-1-sulfonamide

C13H28N4O2S — CID 43119816

IUPACN-[4-(aminomethyl)-1-methylpiperidin-4-yl]-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NC1(CN)CCN(C)CC1
InChIInChI=1S/C13H28N4O2S/c1-12-5-3-4-8-17(12)20(18,19)15-13(11-14)6-9-16(2)10-7-13/h12,15H,3-11,14H2,1-2H3
InChIKeyZRVIWWLPBIFQFJ-UHFFFAOYSA-N
MW304.46 g/mol
LogP0.12
Rot. Bonds4

About N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-2-methylpiperidine-1-sulfonamide

N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-2-methylpiperidine-1-sulfonamide (PubChem CID 43119816) 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]-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpiperidin-4-yl]-2-methylpiperidine-1-sulfonamide
PubChem CID43119816
Molecular FormulaC13H28N4O2S
Molecular Weight304.46 g/mol
Exact Mass304.19
IUPAC NameN-[4-(aminomethyl)-1-methylpiperidin-4-yl]-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NC1(CN)CCN(C)CC1
InChIInChI=1S/C13H28N4O2S/c1-12-5-3-4-8-17(12)20(18,19)15-13(11-14)6-9-16(2)10-7-13/h12,15H,3-11,14H2,1-2H3
InChIKeyZRVIWWLPBIFQFJ-UHFFFAOYSA-N
XLogP0.12
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 ≤ 50.12
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]-2-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-2-methylpiperidine-1-sulfonamide (CID 43119816) is N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-2-methylpiperidine-1-sulfonamide is CC1CCCCN1S(=O)(=O)NC1(CN)CCN(C)CC1.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-2-methylpiperidine-1-sulfonamide?
The InChIKey is ZRVIWWLPBIFQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2S/c1-12-5-3-4-8-17(12)20(18,19)15-13(11-14)6-9-16(2)10-7-13/h12,15H,3-11,14H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-2-methylpiperidine-1-sulfonamide?
N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-2-methylpiperidine-1-sulfonamide has a molecular weight of 304.46 g/mol, XLogP of 0.12, 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]-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 43119816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).