N-[[1-(1-methoxypropan-2-ylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride

C12H27ClN2O3S — CID 119990322

IUPACN-[[1-(1-methoxypropan-2-ylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride
SMILESCCNCC1CCN(S(=O)(=O)C(C)COC)CC1.Cl
InChIInChI=1S/C12H26N2O3S.ClH/c1-4-13-9-12-5-7-14(8-6-12)18(15,16)11(2)10-17-3;/h11-13H,4-10H2,1-3H3;1H
InChIKeyKXDAMEYAUIEAEI-UHFFFAOYSA-N
MW314.88 g/mol
LogP1.09
Rot. Bonds7

About N-[[1-(1-methoxypropan-2-ylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride

N-[[1-(1-methoxypropan-2-ylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride (PubChem CID 119990322) has the molecular formula C12H27ClN2O3S and a molecular weight of 314.88 g/mol. Its IUPAC name is N-[[1-(1-methoxypropan-2-ylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[1-(1-methoxypropan-2-ylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride
PubChem CID119990322
Molecular FormulaC12H27ClN2O3S
Molecular Weight314.88 g/mol
Exact Mass314.14
IUPAC NameN-[[1-(1-methoxypropan-2-ylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride
SMILESCCNCC1CCN(S(=O)(=O)C(C)COC)CC1.Cl
InChIInChI=1S/C12H26N2O3S.ClH/c1-4-13-9-12-5-7-14(8-6-12)18(15,16)11(2)10-17-3;/h11-13H,4-10H2,1-3H3;1H
InChIKeyKXDAMEYAUIEAEI-UHFFFAOYSA-N
XLogP1.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977573
N-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990361
(3R)-1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962481
4-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)piperidine-1-sulfonamide
CID 106068439
N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990642
4-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)piperidine-1-sulfonamide
CID 119990745
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-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2-methoxyethanamine
CID 55258397
4-(ethylaminomethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 106053929
1-[1-(1-methoxypropan-2-ylsulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 119961006
N-[[1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990196

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methoxypropan-2-ylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride?
The IUPAC name of N-[[1-(1-methoxypropan-2-ylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride (CID 119990322) is N-[[1-(1-methoxypropan-2-ylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[[1-(1-methoxypropan-2-ylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[[1-(1-methoxypropan-2-ylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride is CCNCC1CCN(S(=O)(=O)C(C)COC)CC1.Cl.
What is the InChIKey of N-[[1-(1-methoxypropan-2-ylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride?
The InChIKey is KXDAMEYAUIEAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S.ClH/c1-4-13-9-12-5-7-14(8-6-12)18(15,16)11(2)10-17-3;/h11-13H,4-10H2,1-3H3;1H.
What are the key properties of N-[[1-(1-methoxypropan-2-ylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride?
N-[[1-(1-methoxypropan-2-ylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride has a molecular weight of 314.88 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methoxypropan-2-ylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 119990322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).