N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride

C8H19ClN2O2S — CID 119961049

IUPACN-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
SMILESCNCC1CCCN(S(C)(=O)=O)C1.Cl
InChIInChI=1S/C8H18N2O2S.ClH/c1-9-6-8-4-3-5-10(7-8)13(2,11)12;/h8-9H,3-7H2,1-2H3;1H
InChIKeyYUZWNNYJOHPCHX-UHFFFAOYSA-N
MW242.77 g/mol
LogP0.30
Rot. Bonds3

About N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride

N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride (PubChem CID 119961049) has the molecular formula C8H19ClN2O2S and a molecular weight of 242.77 g/mol. Its IUPAC name is N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
PubChem CID119961049
Molecular FormulaC8H19ClN2O2S
Molecular Weight242.77 g/mol
Exact Mass242.09
IUPAC NameN-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
SMILESCNCC1CCCN(S(C)(=O)=O)C1.Cl
InChIInChI=1S/C8H18N2O2S.ClH/c1-9-6-8-4-3-5-10(7-8)13(2,11)12;/h8-9H,3-7H2,1-2H3;1H
InChIKeyYUZWNNYJOHPCHX-UHFFFAOYSA-N
XLogP0.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine
CID 115752117
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
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1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride
CID 119960991
N-methyl-1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 119977537
3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-amine
CID 103746760
2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propane-1,3-diol
CID 79609730
N-(cyclopropylmethyl)-N-methyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
CID 119960920
N-methyl-1-[1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977939
1-(1-methylsulfonylpiperidin-3-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
CID 79612064
N-methyl-1-[4-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine
CID 81033463
1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 62083891
3-[[(1-methylsulfonylpiperidin-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 106132238

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride?
The IUPAC name of N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride (CID 119961049) is N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride is CNCC1CCCN(S(C)(=O)=O)C1.Cl.
What is the InChIKey of N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride?
The InChIKey is YUZWNNYJOHPCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S.ClH/c1-9-6-8-4-3-5-10(7-8)13(2,11)12;/h8-9H,3-7H2,1-2H3;1H.
What are the key properties of N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride?
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride has a molecular weight of 242.77 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 119961049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).