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

C9H21ClN2O2S — CID 119990361

IUPACN-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
SMILESCCNCC1CCN(S(C)(=O)=O)CC1.Cl
InChIInChI=1S/C9H20N2O2S.ClH/c1-3-10-8-9-4-6-11(7-5-9)14(2,12)13;/h9-10H,3-8H2,1-2H3;1H
InChIKeyMCRLYZDCRQORLN-UHFFFAOYSA-N
MW256.80 g/mol
LogP0.69
Rot. Bonds4

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

N-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride (PubChem CID 119990361) has the molecular formula C9H21ClN2O2S and a molecular weight of 256.80 g/mol. Its IUPAC name is N-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
PubChem CID119990361
Molecular FormulaC9H21ClN2O2S
Molecular Weight256.80 g/mol
Exact Mass256.10
IUPAC NameN-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
SMILESCCNCC1CCN(S(C)(=O)=O)CC1.Cl
InChIInChI=1S/C9H20N2O2S.ClH/c1-3-10-8-9-4-6-11(7-5-9)14(2,12)13;/h9-10H,3-8H2,1-2H3;1H
InChIKeyMCRLYZDCRQORLN-UHFFFAOYSA-N
XLogP0.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.80
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990642
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-[(1-methylsulfonylpiperidin-4-yl)methyl]formamide
CID 174528757
N,N-diethyl-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 63879312
N-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 63878962
N-(cyclopentylmethyl)-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106026641
N-[[1-(1-methoxypropan-2-ylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990322
N-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990721
4-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbutanoic acid
CID 80552508
4-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)piperidine-1-sulfonamide
CID 119990745
N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine
CID 119990592

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride?
The IUPAC name of N-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride (CID 119990361) is N-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride is CCNCC1CCN(S(C)(=O)=O)CC1.Cl.
What is the InChIKey of N-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride?
The InChIKey is MCRLYZDCRQORLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S.ClH/c1-3-10-8-9-4-6-11(7-5-9)14(2,12)13;/h9-10H,3-8H2,1-2H3;1H.
What are the key properties of N-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride?
N-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride has a molecular weight of 256.80 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 119990361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).