1-(2-ethylbutylsulfonyl)-N-methylpiperidin-4-amine;hydrochloride

C12H27ClN2O2S — CID 119979973

IUPAC1-(2-ethylbutylsulfonyl)-N-methylpiperidin-4-amine;hydrochloride
SMILESCCC(CC)CS(=O)(=O)N1CCC(NC)CC1.Cl
InChIInChI=1S/C12H26N2O2S.ClH/c1-4-11(5-2)10-17(15,16)14-8-6-12(13-3)7-9-14;/h11-13H,4-10H2,1-3H3;1H
InChIKeyMFGDTYDLZVOWMO-UHFFFAOYSA-N
MW298.88 g/mol
LogP1.86
Rot. Bonds6

About 1-(2-ethylbutylsulfonyl)-N-methylpiperidin-4-amine;hydrochloride

1-(2-ethylbutylsulfonyl)-N-methylpiperidin-4-amine;hydrochloride (PubChem CID 119979973) has the molecular formula C12H27ClN2O2S and a molecular weight of 298.88 g/mol. Its IUPAC name is 1-(2-ethylbutylsulfonyl)-N-methylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-ethylbutylsulfonyl)-N-methylpiperidin-4-amine;hydrochloride
PubChem CID119979973
Molecular FormulaC12H27ClN2O2S
Molecular Weight298.88 g/mol
Exact Mass298.15
IUPAC Name1-(2-ethylbutylsulfonyl)-N-methylpiperidin-4-amine;hydrochloride
SMILESCCC(CC)CS(=O)(=O)N1CCC(NC)CC1.Cl
InChIInChI=1S/C12H26N2O2S.ClH/c1-4-11(5-2)10-17(15,16)14-8-6-12(13-3)7-9-14;/h11-13H,4-10H2,1-3H3;1H
InChIKeyMFGDTYDLZVOWMO-UHFFFAOYSA-N
XLogP1.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.88
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutylsulfonyl)-N-methylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-(2-ethylbutylsulfonyl)-N-methylpiperidin-4-amine;hydrochloride (CID 119979973) is 1-(2-ethylbutylsulfonyl)-N-methylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(2-ethylbutylsulfonyl)-N-methylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(2-ethylbutylsulfonyl)-N-methylpiperidin-4-amine;hydrochloride is CCC(CC)CS(=O)(=O)N1CCC(NC)CC1.Cl.
What is the InChIKey of 1-(2-ethylbutylsulfonyl)-N-methylpiperidin-4-amine;hydrochloride?
The InChIKey is MFGDTYDLZVOWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S.ClH/c1-4-11(5-2)10-17(15,16)14-8-6-12(13-3)7-9-14;/h11-13H,4-10H2,1-3H3;1H.
What are the key properties of 1-(2-ethylbutylsulfonyl)-N-methylpiperidin-4-amine;hydrochloride?
1-(2-ethylbutylsulfonyl)-N-methylpiperidin-4-amine;hydrochloride has a molecular weight of 298.88 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutylsulfonyl)-N-methylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119979973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).