N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride

C11H23ClN2O2S — CID 119990642

IUPACN-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
SMILESCCNCC1CCN(S(=O)(=O)C2CC2)CC1.Cl
InChIInChI=1S/C11H22N2O2S.ClH/c1-2-12-9-10-5-7-13(8-6-10)16(14,15)11-3-4-11;/h10-12H,2-9H2,1H3;1H
InChIKeyNIJLPJHNULFVLM-UHFFFAOYSA-N
MW282.84 g/mol
LogP1.22
Rot. Bonds5

About N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride

N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride (PubChem CID 119990642) has the molecular formula C11H23ClN2O2S and a molecular weight of 282.84 g/mol. Its IUPAC name is N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
PubChem CID119990642
Molecular FormulaC11H23ClN2O2S
Molecular Weight282.84 g/mol
Exact Mass282.12
IUPAC NameN-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
SMILESCCNCC1CCN(S(=O)(=O)C2CC2)CC1.Cl
InChIInChI=1S/C11H22N2O2S.ClH/c1-2-12-9-10-5-7-13(8-6-10)16(14,15)11-3-4-11;/h10-12H,2-9H2,1H3;1H
InChIKeyNIJLPJHNULFVLM-UHFFFAOYSA-N
XLogP1.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.84
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990361
N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990742
N-[[1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119998792
N,N-diethyl-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 63879312
N-(cyclopentylmethyl)-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106026641
N-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 63878962
N-[[1-(1-methoxypropan-2-ylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990322
N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 63880149
N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63879103
2-(1-cyclopropylsulfonylpiperidin-4-yl)acetic acid
CID 79608513
N-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990721
4-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbutanoic acid
CID 80552508

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride?
The IUPAC name of N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride (CID 119990642) is N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride is CCNCC1CCN(S(=O)(=O)C2CC2)CC1.Cl.
What is the InChIKey of N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride?
The InChIKey is NIJLPJHNULFVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S.ClH/c1-2-12-9-10-5-7-13(8-6-10)16(14,15)11-3-4-11;/h10-12H,2-9H2,1H3;1H.
What are the key properties of N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride?
N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride has a molecular weight of 282.84 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 119990642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).