N-methyl-1-[6-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-3-pyridinyl]methanamine

C14H24N4O2S — CID 114551776

IUPACN-methyl-1-[6-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-3-pyridinyl]methanamine
SMILESCNCc1ccc(S(=O)(=O)N2CC(C)N(C)C(C)C2)nc1
InChIInChI=1S/C14H24N4O2S/c1-11-9-18(10-12(2)17(11)4)21(19,20)14-6-5-13(7-15-3)8-16-14/h5-6,8,11-12,15H,7,9-10H2,1-4H3
InChIKeyFFYQBDQFCNJAKJ-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.51
Rot. Bonds4

About N-methyl-1-[6-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-3-pyridinyl]methanamine

N-methyl-1-[6-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-3-pyridinyl]methanamine (PubChem CID 114551776) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-methyl-1-[6-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-3-pyridinyl]methanamine
PubChem CID114551776
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-methyl-1-[6-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-3-pyridinyl]methanamine
SMILESCNCc1ccc(S(=O)(=O)N2CC(C)N(C)C(C)C2)nc1
InChIInChI=1S/C14H24N4O2S/c1-11-9-18(10-12(2)17(11)4)21(19,20)14-6-5-13(7-15-3)8-16-14/h5-6,8,11-12,15H,7,9-10H2,1-4H3
InChIKeyFFYQBDQFCNJAKJ-UHFFFAOYSA-N
XLogP0.51
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[6-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-3-pyridinyl]methanamine (CID 114551776) is N-methyl-1-[6-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[6-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[6-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-3-pyridinyl]methanamine is CNCc1ccc(S(=O)(=O)N2CC(C)N(C)C(C)C2)nc1.
What is the InChIKey of N-methyl-1-[6-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-3-pyridinyl]methanamine?
The InChIKey is FFYQBDQFCNJAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-11-9-18(10-12(2)17(11)4)21(19,20)14-6-5-13(7-15-3)8-16-14/h5-6,8,11-12,15H,7,9-10H2,1-4H3.
What are the key properties of N-methyl-1-[6-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-3-pyridinyl]methanamine?
N-methyl-1-[6-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-3-pyridinyl]methanamine has a molecular weight of 312.44 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-3-pyridinyl]methanamine is sourced from PubChem (CID 114551776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).