1-(2-methylpropyl)-N-(2-methylsulfonylethyl)piperidin-4-amine

C12H26N2O2S — CID 103779495

IUPAC1-(2-methylpropyl)-N-(2-methylsulfonylethyl)piperidin-4-amine
SMILESCC(C)CN1CCC(NCCS(C)(=O)=O)CC1
InChIInChI=1S/C12H26N2O2S/c1-11(2)10-14-7-4-12(5-8-14)13-6-9-17(3,15)16/h11-13H,4-10H2,1-3H3
InChIKeyRNIBZDRBRXQDCZ-UHFFFAOYSA-N
MW262.42 g/mol
LogP0.74
Rot. Bonds6

About 1-(2-methylpropyl)-N-(2-methylsulfonylethyl)piperidin-4-amine

1-(2-methylpropyl)-N-(2-methylsulfonylethyl)piperidin-4-amine (PubChem CID 103779495) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-(2-methylsulfonylethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-(2-methylsulfonylethyl)piperidin-4-amine
PubChem CID103779495
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name1-(2-methylpropyl)-N-(2-methylsulfonylethyl)piperidin-4-amine
SMILESCC(C)CN1CCC(NCCS(C)(=O)=O)CC1
InChIInChI=1S/C12H26N2O2S/c1-11(2)10-14-7-4-12(5-8-14)13-6-9-17(3,15)16/h11-13H,4-10H2,1-3H3
InChIKeyRNIBZDRBRXQDCZ-UHFFFAOYSA-N
XLogP0.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylsulfonylethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103780918
N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine
CID 60920378
N-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]acetamide
CID 102673464
N-[3-(4-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103776314
N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103640946
N-(2-cyclobutylethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103914513
N-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propanamide
CID 103779047
N'-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-N'-propan-2-ylpropane-1,3-diamine
CID 103776874
N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-4-amine;hydrochloride
CID 115607087
N',N'-diethyl-N-[1-(2-methylpropyl)piperidin-4-yl]ethane-1,2-diamine
CID 103775624
N-(2-ethoxyethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115709922
N-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]cyclopropanamine
CID 62773117

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-(2-methylsulfonylethyl)piperidin-4-amine?
The IUPAC name of 1-(2-methylpropyl)-N-(2-methylsulfonylethyl)piperidin-4-amine (CID 103779495) is 1-(2-methylpropyl)-N-(2-methylsulfonylethyl)piperidin-4-amine.
What is the SMILES notation for 1-(2-methylpropyl)-N-(2-methylsulfonylethyl)piperidin-4-amine?
The canonical SMILES for 1-(2-methylpropyl)-N-(2-methylsulfonylethyl)piperidin-4-amine is CC(C)CN1CCC(NCCS(C)(=O)=O)CC1.
What is the InChIKey of 1-(2-methylpropyl)-N-(2-methylsulfonylethyl)piperidin-4-amine?
The InChIKey is RNIBZDRBRXQDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-11(2)10-14-7-4-12(5-8-14)13-6-9-17(3,15)16/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-(2-methylpropyl)-N-(2-methylsulfonylethyl)piperidin-4-amine?
1-(2-methylpropyl)-N-(2-methylsulfonylethyl)piperidin-4-amine has a molecular weight of 262.42 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-(2-methylsulfonylethyl)piperidin-4-amine is sourced from PubChem (CID 103779495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).