N-[1-(2-cyclobutylethylsulfonyl)-3-methylpiperidin-4-ylidene]hydroxylamine

C12H22N2O3S — CID 112746958

IUPACN-[1-(2-cyclobutylethylsulfonyl)-3-methylpiperidin-4-ylidene]hydroxylamine
SMILESCC1CN(S(=O)(=O)CCC2CCC2)CCC1=NO
InChIInChI=1S/C12H22N2O3S/c1-10-9-14(7-5-12(10)13-15)18(16,17)8-6-11-3-2-4-11/h10-11,15H,2-9H2,1H3
InChIKeyPQORNWBTRIIOBW-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.68
Rot. Bonds4

About N-[1-(2-cyclobutylethylsulfonyl)-3-methylpiperidin-4-ylidene]hydroxylamine

N-[1-(2-cyclobutylethylsulfonyl)-3-methylpiperidin-4-ylidene]hydroxylamine (PubChem CID 112746958) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[1-(2-cyclobutylethylsulfonyl)-3-methylpiperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(2-cyclobutylethylsulfonyl)-3-methylpiperidin-4-ylidene]hydroxylamine
PubChem CID112746958
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-[1-(2-cyclobutylethylsulfonyl)-3-methylpiperidin-4-ylidene]hydroxylamine
SMILESCC1CN(S(=O)(=O)CCC2CCC2)CCC1=NO
InChIInChI=1S/C12H22N2O3S/c1-10-9-14(7-5-12(10)13-15)18(16,17)8-6-11-3-2-4-11/h10-11,15H,2-9H2,1H3
InChIKeyPQORNWBTRIIOBW-UHFFFAOYSA-N
XLogP1.68
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.68
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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Related Compounds

N-(1-tert-butylsulfonyl-3-methylpiperidin-4-ylidene)hydroxylamine
CID 104930877
N-(3-ethyl-1-propylsulfonylpiperidin-4-ylidene)hydroxylamine
CID 104931372
3-cyclohexyl-1-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-1-one
CID 104930829
N-[1-(3,3-dimethylbutylsulfonyl)-3-ethylpiperidin-4-ylidene]hydroxylamine
CID 103521276
(NE)-N-[1-(4-bromophenyl)sulfonyl-3-methylpiperidin-4-ylidene]hydroxylamine
CID 114500965
1-(2-cyclopentylethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 122068407
(3S,4S)-1-(2-cyclohexylethylsulfonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 122103662
N-[3-ethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine
CID 104931361
3-methyl-1-propylsulfonylpiperidin-4-one
CID 114500092
3-cyclopentyl-1-(3-ethyl-4-hydroxyiminopiperidin-1-yl)propan-1-one
CID 104931309
2-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]ethanol
CID 63290285
2-[1-(2-aminoethylsulfonyl)piperidin-3-yl]ethanol
CID 107227327

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyclobutylethylsulfonyl)-3-methylpiperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(2-cyclobutylethylsulfonyl)-3-methylpiperidin-4-ylidene]hydroxylamine (CID 112746958) is N-[1-(2-cyclobutylethylsulfonyl)-3-methylpiperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(2-cyclobutylethylsulfonyl)-3-methylpiperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(2-cyclobutylethylsulfonyl)-3-methylpiperidin-4-ylidene]hydroxylamine is CC1CN(S(=O)(=O)CCC2CCC2)CCC1=NO.
What is the InChIKey of N-[1-(2-cyclobutylethylsulfonyl)-3-methylpiperidin-4-ylidene]hydroxylamine?
The InChIKey is PQORNWBTRIIOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-10-9-14(7-5-12(10)13-15)18(16,17)8-6-11-3-2-4-11/h10-11,15H,2-9H2,1H3.
What are the key properties of N-[1-(2-cyclobutylethylsulfonyl)-3-methylpiperidin-4-ylidene]hydroxylamine?
N-[1-(2-cyclobutylethylsulfonyl)-3-methylpiperidin-4-ylidene]hydroxylamine has a molecular weight of 274.39 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyclobutylethylsulfonyl)-3-methylpiperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 112746958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).