N-methyl-1-[1-(3-methylsulfonylpropyl)piperidin-2-yl]methanamine

C11H24N2O2S — CID 63191742

IUPACN-methyl-1-[1-(3-methylsulfonylpropyl)piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1CCCS(C)(=O)=O
InChIInChI=1S/C11H24N2O2S/c1-12-10-11-6-3-4-7-13(11)8-5-9-16(2,14)15/h11-12H,3-10H2,1-2H3
InChIKeyXRFFRVWDWILOHH-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.50
Rot. Bonds6

About N-methyl-1-[1-(3-methylsulfonylpropyl)piperidin-2-yl]methanamine

N-methyl-1-[1-(3-methylsulfonylpropyl)piperidin-2-yl]methanamine (PubChem CID 63191742) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-methyl-1-[1-(3-methylsulfonylpropyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(3-methylsulfonylpropyl)piperidin-2-yl]methanamine
PubChem CID63191742
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-methyl-1-[1-(3-methylsulfonylpropyl)piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1CCCS(C)(=O)=O
InChIInChI=1S/C11H24N2O2S/c1-12-10-11-6-3-4-7-13(11)8-5-9-16(2,14)15/h11-12H,3-10H2,1-2H3
InChIKeyXRFFRVWDWILOHH-UHFFFAOYSA-N
XLogP0.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(chloromethyl)-1-(3-methylsulfonylpropyl)piperidine
CID 63387072
N-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]ethanamine
CID 63191177
1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]-N-methylmethanamine
CID 63250076
3-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]propan-1-amine
CID 63762474
3-(2-methylpiperidin-1-yl)-N-(3-methylsulfonylpropyl)propan-1-amine
CID 63190466
1-[1-(cyclopropylmethyl)piperidin-2-yl]-N-methylmethanamine
CID 62541663
N-methyl-1-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 119991282
1-(1-hept-6-enylpyrrolidin-2-yl)-N-methylmethanamine
CID 107008070
1-[1-(2-methylsulfonylethyl)azepan-2-yl]propan-2-ol
CID 114338663
N-methyl-1-(1-prop-2-enylpiperidin-2-yl)methanamine
CID 62384358
2-[2-(methylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63249944
1-[1-(ethoxymethyl)piperidin-2-yl]-N-methylmethanamine
CID 65366865

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(3-methylsulfonylpropyl)piperidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(3-methylsulfonylpropyl)piperidin-2-yl]methanamine (CID 63191742) is N-methyl-1-[1-(3-methylsulfonylpropyl)piperidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(3-methylsulfonylpropyl)piperidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(3-methylsulfonylpropyl)piperidin-2-yl]methanamine is CNCC1CCCCN1CCCS(C)(=O)=O.
What is the InChIKey of N-methyl-1-[1-(3-methylsulfonylpropyl)piperidin-2-yl]methanamine?
The InChIKey is XRFFRVWDWILOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-12-10-11-6-3-4-7-13(11)8-5-9-16(2,14)15/h11-12H,3-10H2,1-2H3.
What are the key properties of N-methyl-1-[1-(3-methylsulfonylpropyl)piperidin-2-yl]methanamine?
N-methyl-1-[1-(3-methylsulfonylpropyl)piperidin-2-yl]methanamine has a molecular weight of 248.39 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(3-methylsulfonylpropyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 63191742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).