N-[1-(3,3-dimethylbutylsulfonyl)-3-ethylpiperidin-4-ylidene]hydroxylamine

C13H26N2O3S — CID 103521276

IUPACN-[1-(3,3-dimethylbutylsulfonyl)-3-ethylpiperidin-4-ylidene]hydroxylamine
SMILESCCC1CN(S(=O)(=O)CCC(C)(C)C)CCC1=NO
InChIInChI=1S/C13H26N2O3S/c1-5-11-10-15(8-6-12(11)14-16)19(17,18)9-7-13(2,3)4/h11,16H,5-10H2,1-4H3
InChIKeyCVQYHPBLYDYHGI-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.31
Rot. Bonds4

About N-[1-(3,3-dimethylbutylsulfonyl)-3-ethylpiperidin-4-ylidene]hydroxylamine

N-[1-(3,3-dimethylbutylsulfonyl)-3-ethylpiperidin-4-ylidene]hydroxylamine (PubChem CID 103521276) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[1-(3,3-dimethylbutylsulfonyl)-3-ethylpiperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(3,3-dimethylbutylsulfonyl)-3-ethylpiperidin-4-ylidene]hydroxylamine
PubChem CID103521276
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-[1-(3,3-dimethylbutylsulfonyl)-3-ethylpiperidin-4-ylidene]hydroxylamine
SMILESCCC1CN(S(=O)(=O)CCC(C)(C)C)CCC1=NO
InChIInChI=1S/C13H26N2O3S/c1-5-11-10-15(8-6-12(11)14-16)19(17,18)9-7-13(2,3)4/h11,16H,5-10H2,1-4H3
InChIKeyCVQYHPBLYDYHGI-UHFFFAOYSA-N
XLogP2.31
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3-dimethylbutylsulfonyl)-3-ethylpiperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(3,3-dimethylbutylsulfonyl)-3-ethylpiperidin-4-ylidene]hydroxylamine (CID 103521276) is N-[1-(3,3-dimethylbutylsulfonyl)-3-ethylpiperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(3,3-dimethylbutylsulfonyl)-3-ethylpiperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(3,3-dimethylbutylsulfonyl)-3-ethylpiperidin-4-ylidene]hydroxylamine is CCC1CN(S(=O)(=O)CCC(C)(C)C)CCC1=NO.
What is the InChIKey of N-[1-(3,3-dimethylbutylsulfonyl)-3-ethylpiperidin-4-ylidene]hydroxylamine?
The InChIKey is CVQYHPBLYDYHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-5-11-10-15(8-6-12(11)14-16)19(17,18)9-7-13(2,3)4/h11,16H,5-10H2,1-4H3.
What are the key properties of N-[1-(3,3-dimethylbutylsulfonyl)-3-ethylpiperidin-4-ylidene]hydroxylamine?
N-[1-(3,3-dimethylbutylsulfonyl)-3-ethylpiperidin-4-ylidene]hydroxylamine has a molecular weight of 290.43 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3-dimethylbutylsulfonyl)-3-ethylpiperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 103521276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).