N-(cyclopropylmethyl)-1-(2-ethylsulfonylethyl)piperidin-4-amine;hydrochloride

C13H27ClN2O2S — CID 119926349

IUPACN-(cyclopropylmethyl)-1-(2-ethylsulfonylethyl)piperidin-4-amine;hydrochloride
SMILESCCS(=O)(=O)CCN1CCC(NCC2CC2)CC1.Cl
InChIInChI=1S/C13H26N2O2S.ClH/c1-2-18(16,17)10-9-15-7-5-13(6-8-15)14-11-12-3-4-12;/h12-14H,2-11H2,1H3;1H
InChIKeyVRDRIIFKLQFCQZ-UHFFFAOYSA-N
MW310.89 g/mol
LogP1.31
Rot. Bonds7

About N-(cyclopropylmethyl)-1-(2-ethylsulfonylethyl)piperidin-4-amine;hydrochloride

N-(cyclopropylmethyl)-1-(2-ethylsulfonylethyl)piperidin-4-amine;hydrochloride (PubChem CID 119926349) has the molecular formula C13H27ClN2O2S and a molecular weight of 310.89 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(2-ethylsulfonylethyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(2-ethylsulfonylethyl)piperidin-4-amine;hydrochloride
PubChem CID119926349
Molecular FormulaC13H27ClN2O2S
Molecular Weight310.89 g/mol
Exact Mass310.15
IUPAC NameN-(cyclopropylmethyl)-1-(2-ethylsulfonylethyl)piperidin-4-amine;hydrochloride
SMILESCCS(=O)(=O)CCN1CCC(NCC2CC2)CC1.Cl
InChIInChI=1S/C13H26N2O2S.ClH/c1-2-18(16,17)10-9-15-7-5-13(6-8-15)14-11-12-3-4-12;/h12-14H,2-11H2,1H3;1H
InChIKeyVRDRIIFKLQFCQZ-UHFFFAOYSA-N
XLogP1.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.89
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(2-ethylsulfonylethyl)piperidin-4-amine
CID 60820479
N-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine
CID 43748011
1-(2-aminoethyl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 121230314
N-(cyclopropylmethyl)-1-[(2-methylcyclopropyl)methyl]piperidin-4-amine;hydrochloride
CID 120841537
1-ethyl-N-(2-ethylsulfonylethyl)piperidin-4-amine
CID 115716494
N-(cyclobutylmethyl)-1-ethylpiperidin-4-amine
CID 43298506
N-(cyclopentylmethyl)-1-ethylsulfonylpiperidin-4-amine
CID 62069812
2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol
CID 59216610
4-[4-(cyclopropylmethylamino)piperidin-1-yl]butan-1-ol
CID 115307344
1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 81492948
N-(cyclopropylmethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
CID 103181632
N-(cyclohexylmethyl)-1-hexylpiperidin-4-amine
CID 91201253

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(2-ethylsulfonylethyl)piperidin-4-amine;hydrochloride?
The IUPAC name of N-(cyclopropylmethyl)-1-(2-ethylsulfonylethyl)piperidin-4-amine;hydrochloride (CID 119926349) is N-(cyclopropylmethyl)-1-(2-ethylsulfonylethyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(2-ethylsulfonylethyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for N-(cyclopropylmethyl)-1-(2-ethylsulfonylethyl)piperidin-4-amine;hydrochloride is CCS(=O)(=O)CCN1CCC(NCC2CC2)CC1.Cl.
What is the InChIKey of N-(cyclopropylmethyl)-1-(2-ethylsulfonylethyl)piperidin-4-amine;hydrochloride?
The InChIKey is VRDRIIFKLQFCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S.ClH/c1-2-18(16,17)10-9-15-7-5-13(6-8-15)14-11-12-3-4-12;/h12-14H,2-11H2,1H3;1H.
What are the key properties of N-(cyclopropylmethyl)-1-(2-ethylsulfonylethyl)piperidin-4-amine;hydrochloride?
N-(cyclopropylmethyl)-1-(2-ethylsulfonylethyl)piperidin-4-amine;hydrochloride has a molecular weight of 310.89 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(2-ethylsulfonylethyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 119926349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).