1-(2-methylbutylsulfonyl)piperidin-4-amine;hydrochloride

C10H23ClN2O2S — CID 119959284

IUPAC1-(2-methylbutylsulfonyl)piperidin-4-amine;hydrochloride
SMILESCCC(C)CS(=O)(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C10H22N2O2S.ClH/c1-3-9(2)8-15(13,14)12-6-4-10(11)5-7-12;/h9-10H,3-8,11H2,1-2H3;1H
InChIKeyUVCQWORGIRHTBN-UHFFFAOYSA-N
MW270.83 g/mol
LogP1.21
Rot. Bonds4

About 1-(2-methylbutylsulfonyl)piperidin-4-amine;hydrochloride

1-(2-methylbutylsulfonyl)piperidin-4-amine;hydrochloride (PubChem CID 119959284) has the molecular formula C10H23ClN2O2S and a molecular weight of 270.83 g/mol. Its IUPAC name is 1-(2-methylbutylsulfonyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-methylbutylsulfonyl)piperidin-4-amine;hydrochloride
PubChem CID119959284
Molecular FormulaC10H23ClN2O2S
Molecular Weight270.83 g/mol
Exact Mass270.12
IUPAC Name1-(2-methylbutylsulfonyl)piperidin-4-amine;hydrochloride
SMILESCCC(C)CS(=O)(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C10H22N2O2S.ClH/c1-3-9(2)8-15(13,14)12-6-4-10(11)5-7-12;/h9-10H,3-8,11H2,1-2H3;1H
InChIKeyUVCQWORGIRHTBN-UHFFFAOYSA-N
XLogP1.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.83
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 21090391
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CID 49817087
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CID 70895832
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CID 16774109
CID 16774109
CID 60145910
CID 60145910
CID 43810658
CID 43810658
CID 43810661
CID 43810661
CID 47002636
CID 47002636
CID 71758266
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CID 86775469
CID 86775469

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutylsulfonyl)piperidin-4-amine;hydrochloride?
The IUPAC name of 1-(2-methylbutylsulfonyl)piperidin-4-amine;hydrochloride (CID 119959284) is 1-(2-methylbutylsulfonyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(2-methylbutylsulfonyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(2-methylbutylsulfonyl)piperidin-4-amine;hydrochloride is CCC(C)CS(=O)(=O)N1CCC(N)CC1.Cl.
What is the InChIKey of 1-(2-methylbutylsulfonyl)piperidin-4-amine;hydrochloride?
The InChIKey is UVCQWORGIRHTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S.ClH/c1-3-9(2)8-15(13,14)12-6-4-10(11)5-7-12;/h9-10H,3-8,11H2,1-2H3;1H.
What are the key properties of 1-(2-methylbutylsulfonyl)piperidin-4-amine;hydrochloride?
1-(2-methylbutylsulfonyl)piperidin-4-amine;hydrochloride has a molecular weight of 270.83 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutylsulfonyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 119959284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).