1-ethylsulfonyl-N-(oxolan-3-ylmethyl)piperidin-4-amine

C12H24N2O3S — CID 43208067

IUPAC1-ethylsulfonyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NCC2CCOC2)CC1
InChIInChI=1S/C12H24N2O3S/c1-2-18(15,16)14-6-3-12(4-7-14)13-9-11-5-8-17-10-11/h11-13H,2-10H2,1H3
InChIKeyAPLSVCURDCPOKT-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.43
Rot. Bonds5

About 1-ethylsulfonyl-N-(oxolan-3-ylmethyl)piperidin-4-amine

1-ethylsulfonyl-N-(oxolan-3-ylmethyl)piperidin-4-amine (PubChem CID 43208067) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(oxolan-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
PubChem CID43208067
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name1-ethylsulfonyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NCC2CCOC2)CC1
InChIInChI=1S/C12H24N2O3S/c1-2-18(15,16)14-6-3-12(4-7-14)13-9-11-5-8-17-10-11/h11-13H,2-10H2,1H3
InChIKeyAPLSVCURDCPOKT-UHFFFAOYSA-N
XLogP0.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}-1-ethanesulfonamide
CID 91923054
N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-sulfonamide
CID 121564945
(3R)-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-sulfonamide
CID 124738711
(3S)-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-sulfonamide
CID 124738712
(3S)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-sulfonamide
CID 124738713
(3R)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-sulfonamide
CID 124738714
1-amino-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide
CID 68824374
N-(oxan-4-ylmethyl)-N-piperidin-4-ylbutane-1-sulfonamide
CID 70653507
N-(oxan-4-ylmethyl)-N-piperidin-4-yl-2-sulfanylethanesulfonamide
CID 123583003
1-butylsulfonyl-N-(oxetan-3-ylmethyl)piperidin-4-amine
CID 170623179
1-ethylsulfonyl-N-(4-methoxy-4-methylpentan-2-yl)piperidin-4-amine
CID 43147235
1-ethylsulfonyl-N-(oxan-4-yl)piperidin-4-amine
CID 43608586

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(oxolan-3-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-ethylsulfonyl-N-(oxolan-3-ylmethyl)piperidin-4-amine (CID 43208067) is 1-ethylsulfonyl-N-(oxolan-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-ethylsulfonyl-N-(oxolan-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-ethylsulfonyl-N-(oxolan-3-ylmethyl)piperidin-4-amine is CCS(=O)(=O)N1CCC(NCC2CCOC2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-(oxolan-3-ylmethyl)piperidin-4-amine?
The InChIKey is APLSVCURDCPOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-2-18(15,16)14-6-3-12(4-7-14)13-9-11-5-8-17-10-11/h11-13H,2-10H2,1H3.
What are the key properties of 1-ethylsulfonyl-N-(oxolan-3-ylmethyl)piperidin-4-amine?
1-ethylsulfonyl-N-(oxolan-3-ylmethyl)piperidin-4-amine has a molecular weight of 276.40 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(oxolan-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 43208067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).