1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine;hydrochloride

C12H25ClN2O3S — CID 119974695

IUPAC1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCN(S(=O)(=O)CC2CCCO2)CC1.Cl
InChIInChI=1S/C12H24N2O3S.ClH/c1-10(13)11-4-6-14(7-5-11)18(15,16)9-12-3-2-8-17-12;/h10-12H,2-9,13H2,1H3;1H
InChIKeyXDVPGHRGZKYMQI-UHFFFAOYSA-N
MW312.86 g/mol
LogP0.98
Rot. Bonds4

About 1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine;hydrochloride

1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine;hydrochloride (PubChem CID 119974695) has the molecular formula C12H25ClN2O3S and a molecular weight of 312.86 g/mol. Its IUPAC name is 1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine;hydrochloride
PubChem CID119974695
Molecular FormulaC12H25ClN2O3S
Molecular Weight312.86 g/mol
Exact Mass312.13
IUPAC Name1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCN(S(=O)(=O)CC2CCCO2)CC1.Cl
InChIInChI=1S/C12H24N2O3S.ClH/c1-10(13)11-4-6-14(7-5-11)18(15,16)9-12-3-2-8-17-12;/h10-12H,2-9,13H2,1H3;1H
InChIKeyXDVPGHRGZKYMQI-UHFFFAOYSA-N
XLogP0.98
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.86
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(oxan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine
CID 119974611
3-ethyl-1-(oxolan-2-ylmethylsulfonyl)piperidin-4-amine
CID 81460858
1-(oxolan-2-ylmethylsulfonyl)piperazine;hydrochloride
CID 119961556
1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 63247573
(3R)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 115301823
N-methyl-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962995
2-[4-(oxolan-2-ylmethylsulfonyl)piperazin-1-yl]butanethioamide
CID 63341644
3-bromo-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine
CID 80668077
1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-ol
CID 63247301
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one;hydrochloride
CID 119518131
3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine
CID 63400894
3-methyl-1-(oxan-2-ylmethylsulfonyl)piperidin-4-amine
CID 119983951

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine;hydrochloride (CID 119974695) is 1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine;hydrochloride is CC(N)C1CCN(S(=O)(=O)CC2CCCO2)CC1.Cl.
What is the InChIKey of 1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine;hydrochloride?
The InChIKey is XDVPGHRGZKYMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S.ClH/c1-10(13)11-4-6-14(7-5-11)18(15,16)9-12-3-2-8-17-12;/h10-12H,2-9,13H2,1H3;1H.
What are the key properties of 1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine;hydrochloride?
1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine;hydrochloride has a molecular weight of 312.86 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119974695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).