N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine

C11H24N2O2S — CID 60920378

IUPACN-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCCS(C)(=O)=O)CC1
InChIInChI=1S/C11H24N2O2S/c1-3-7-13-8-4-11(5-9-13)12-6-10-16(2,14)15/h11-12H,3-10H2,1-2H3
InChIKeyNFVFMHIXDLGDCB-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.50
Rot. Bonds6

About N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine

N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine (PubChem CID 60920378) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine
PubChem CID60920378
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCCS(C)(=O)=O)CC1
InChIInChI=1S/C11H24N2O2S/c1-3-7-13-8-4-11(5-9-13)12-6-10-16(2,14)15/h11-12H,3-10H2,1-2H3
InChIKeyNFVFMHIXDLGDCB-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

1-(2-methylpropyl)-N-(2-methylsulfonylethyl)piperidin-4-amine
CID 103779495
1-ethyl-N-(2-ethylsulfonylethyl)piperidin-4-amine
CID 115716494
N-(3-fluoropropyl)-1-propylpiperidin-4-amine
CID 81106690
1-(2-methylsulfonylethylsulfonyl)-N-propylpiperidin-4-amine
CID 55173688
1,2-dimethyl-N-(2-methylsulfonylethyl)piperidin-4-amine
CID 81332995
1-ethyl-N-(3-methylsulfonylpropyl)azepan-4-amine
CID 65073233
4-ethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 60920149
N-(2-cyclohexyloxyethyl)-1-propylpiperidin-4-amine
CID 63826760
N-ethyl-1-(2-ethylsulfonylethyl)piperidin-4-amine
CID 60820479
2-methyl-4-[(1-propylpiperidin-4-yl)amino]butan-2-ol
CID 79361096
1-(4-methylpiperazin-1-yl)-2-[(1-propylpiperidin-4-yl)amino]ethanone
CID 60695559
2-[(1-propylpiperidin-4-yl)amino]ethyl carbamate
CID 83211120

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine?
The IUPAC name of N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine (CID 60920378) is N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine.
What is the SMILES notation for N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine?
The canonical SMILES for N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine is CCCN1CCC(NCCS(C)(=O)=O)CC1.
What is the InChIKey of N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine?
The InChIKey is NFVFMHIXDLGDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-3-7-13-8-4-11(5-9-13)12-6-10-16(2,14)15/h11-12H,3-10H2,1-2H3.
What are the key properties of N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine?
N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine 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-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine is sourced from PubChem (CID 60920378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).