N-methyl-1-[1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine

C13H21N3O4S2 — CID 120998995

IUPACN-methyl-1-[1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine
SMILESCNCC1CCCN(S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)C1
InChIInChI=1S/C13H21N3O4S2/c1-14-8-11-4-3-7-16(10-11)22(19,20)12-5-6-13(15-9-12)21(2,17)18/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3
InChIKeyJHMNNFJFMOUYLL-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.11
Rot. Bonds5

About N-methyl-1-[1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine

N-methyl-1-[1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine (PubChem CID 120998995) has the molecular formula C13H21N3O4S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-methyl-1-[1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine
PubChem CID120998995
Molecular FormulaC13H21N3O4S2
Molecular Weight347.46 g/mol
Exact Mass347.10
IUPAC NameN-methyl-1-[1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine
SMILESCNCC1CCCN(S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)C1
InChIInChI=1S/C13H21N3O4S2/c1-14-8-11-4-3-7-16(10-11)22(19,20)12-5-6-13(15-9-12)21(2,17)18/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3
InChIKeyJHMNNFJFMOUYLL-UHFFFAOYSA-N
XLogP0.11
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124684745
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
N-methyl-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanamine
CID 120709622
1-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961417
1-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61204741
1-[(3S)-1-(3,4-diethoxyphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124683067
[1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-4-yl]methanamine;hydrochloride
CID 120999463
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961182
1-[1-(4-bromo-3-fluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961329
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 55168097
1-[1-(3-iodophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961461
1-[1-(3-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961100

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine (CID 120998995) is N-methyl-1-[1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine is CNCC1CCCN(S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)C1.
What is the InChIKey of N-methyl-1-[1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine?
The InChIKey is JHMNNFJFMOUYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S2/c1-14-8-11-4-3-7-16(10-11)22(19,20)12-5-6-13(15-9-12)21(2,17)18/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-methyl-1-[1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine?
N-methyl-1-[1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine has a molecular weight of 347.46 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 120998995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).