1-ethylsulfonyl-N-(4-methoxy-4-methylpentan-2-yl)piperidin-4-amine

C14H30N2O3S — CID 43147235

IUPAC1-ethylsulfonyl-N-(4-methoxy-4-methylpentan-2-yl)piperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NC(C)CC(C)(C)OC)CC1
InChIInChI=1S/C14H30N2O3S/c1-6-20(17,18)16-9-7-13(8-10-16)15-12(2)11-14(3,4)19-5/h12-13,15H,6-11H2,1-5H3
InChIKeyPNVTXTHVOMTXQP-UHFFFAOYSA-N
MW306.47 g/mol
LogP1.59
Rot. Bonds7

About 1-ethylsulfonyl-N-(4-methoxy-4-methylpentan-2-yl)piperidin-4-amine

1-ethylsulfonyl-N-(4-methoxy-4-methylpentan-2-yl)piperidin-4-amine (PubChem CID 43147235) has the molecular formula C14H30N2O3S and a molecular weight of 306.47 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(4-methoxy-4-methylpentan-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(4-methoxy-4-methylpentan-2-yl)piperidin-4-amine
PubChem CID43147235
Molecular FormulaC14H30N2O3S
Molecular Weight306.47 g/mol
Exact Mass306.20
IUPAC Name1-ethylsulfonyl-N-(4-methoxy-4-methylpentan-2-yl)piperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NC(C)CC(C)(C)OC)CC1
InChIInChI=1S/C14H30N2O3S/c1-6-20(17,18)16-9-7-13(8-10-16)15-12(2)11-14(3,4)19-5/h12-13,15H,6-11H2,1-5H3
InChIKeyPNVTXTHVOMTXQP-UHFFFAOYSA-N
XLogP1.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxy-1,3-dimethylbutyl)-1-(methylsulfonyl)piperidin-4-amine
CID 43628711
1-((2-Methoxyethyl)sulfonyl)piperidin-4-amine
CID 61608559
1-ethylsulfonyl-N,3-dimethylpiperidin-4-amine
CID 67242779
1-amino-3-methoxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide
CID 68822827
N-(3,5-dimethylpiperidin-4-yl)propane-2-sulfonamide
CID 155136648
1-(3-Methoxy-3-methylbutyl)sulfonylpiperidin-4-amine
CID 161104551
1-butylsulfonyl-N-(oxetan-3-ylmethyl)piperidin-4-amine
CID 170623179
1-ethylsulfonyl-N-(4-methylpentan-2-yl)piperidin-4-amine
CID 43208060
1-ethylsulfonyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
CID 43208067
1-ethylsulfonyl-N-(2-methylpentyl)piperidin-4-amine
CID 43208073
2-[(4-Methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide
CID 43551690
N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothian-4-amine
CID 43614802

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(4-methoxy-4-methylpentan-2-yl)piperidin-4-amine?
The IUPAC name of 1-ethylsulfonyl-N-(4-methoxy-4-methylpentan-2-yl)piperidin-4-amine (CID 43147235) is 1-ethylsulfonyl-N-(4-methoxy-4-methylpentan-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-ethylsulfonyl-N-(4-methoxy-4-methylpentan-2-yl)piperidin-4-amine?
The canonical SMILES for 1-ethylsulfonyl-N-(4-methoxy-4-methylpentan-2-yl)piperidin-4-amine is CCS(=O)(=O)N1CCC(NC(C)CC(C)(C)OC)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-(4-methoxy-4-methylpentan-2-yl)piperidin-4-amine?
The InChIKey is PNVTXTHVOMTXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3S/c1-6-20(17,18)16-9-7-13(8-10-16)15-12(2)11-14(3,4)19-5/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 1-ethylsulfonyl-N-(4-methoxy-4-methylpentan-2-yl)piperidin-4-amine?
1-ethylsulfonyl-N-(4-methoxy-4-methylpentan-2-yl)piperidin-4-amine has a molecular weight of 306.47 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(4-methoxy-4-methylpentan-2-yl)piperidin-4-amine is sourced from PubChem (CID 43147235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).