1-(2-propan-2-ylsulfonylethyl)piperidin-4-amine;hydrochloride

C10H23ClN2O2S — CID 119907593

IUPAC1-(2-propan-2-ylsulfonylethyl)piperidin-4-amine;hydrochloride
SMILESCC(C)S(=O)(=O)CCN1CCC(N)CC1.Cl
InChIInChI=1S/C10H22N2O2S.ClH/c1-9(2)15(13,14)8-7-12-5-3-10(11)4-6-12;/h9-10H,3-8,11H2,1-2H3;1H
InChIKeyMAJSMWGGMCQGTR-UHFFFAOYSA-N
MW270.83 g/mol
LogP0.65
Rot. Bonds4

About 1-(2-propan-2-ylsulfonylethyl)piperidin-4-amine;hydrochloride

1-(2-propan-2-ylsulfonylethyl)piperidin-4-amine;hydrochloride (PubChem CID 119907593) has the molecular formula C10H23ClN2O2S and a molecular weight of 270.83 g/mol. Its IUPAC name is 1-(2-propan-2-ylsulfonylethyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-propan-2-ylsulfonylethyl)piperidin-4-amine;hydrochloride
PubChem CID119907593
Molecular FormulaC10H23ClN2O2S
Molecular Weight270.83 g/mol
Exact Mass270.12
IUPAC Name1-(2-propan-2-ylsulfonylethyl)piperidin-4-amine;hydrochloride
SMILESCC(C)S(=O)(=O)CCN1CCC(N)CC1.Cl
InChIInChI=1S/C10H22N2O2S.ClH/c1-9(2)15(13,14)8-7-12-5-3-10(11)4-6-12;/h9-10H,3-8,11H2,1-2H3;1H
InChIKeyMAJSMWGGMCQGTR-UHFFFAOYSA-N
XLogP0.65
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.83
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-1-(2-propan-2-ylsulfonylethyl)pyrrolidine
CID 106731131
1-[1-(2-propan-2-ylsulfonylethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109951
2-methyl-3-[4-(2-propan-2-ylsulfonylethyl)piperazin-1-yl]propan-1-amine
CID 106722640
(3S,4R)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3,4-diol
CID 103738839
1-[4-(2-propan-2-ylsulfonylethyl)piperazin-1-yl]ethanethiol
CID 135200121
1-(2-propan-2-ylsulfonylethyl)piperidine-3,4-dicarboxylic acid
CID 106727684
3-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride
CID 119924370
[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanamine
CID 84698058
1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanamine
CID 63597306
(3S,4R)-4-phenyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidin-3-amine;hydrochloride
CID 120760546
1-(2-propan-2-ylsulfonylethyl)piperidine-3-carboxylic acid
CID 104835427
[4-(2-propan-2-ylsulfonylethyl)morpholin-2-yl]methanamine
CID 104920922

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylsulfonylethyl)piperidin-4-amine;hydrochloride?
The IUPAC name of 1-(2-propan-2-ylsulfonylethyl)piperidin-4-amine;hydrochloride (CID 119907593) is 1-(2-propan-2-ylsulfonylethyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(2-propan-2-ylsulfonylethyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(2-propan-2-ylsulfonylethyl)piperidin-4-amine;hydrochloride is CC(C)S(=O)(=O)CCN1CCC(N)CC1.Cl.
What is the InChIKey of 1-(2-propan-2-ylsulfonylethyl)piperidin-4-amine;hydrochloride?
The InChIKey is MAJSMWGGMCQGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S.ClH/c1-9(2)15(13,14)8-7-12-5-3-10(11)4-6-12;/h9-10H,3-8,11H2,1-2H3;1H.
What are the key properties of 1-(2-propan-2-ylsulfonylethyl)piperidin-4-amine;hydrochloride?
1-(2-propan-2-ylsulfonylethyl)piperidin-4-amine;hydrochloride has a molecular weight of 270.83 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylsulfonylethyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 119907593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).