N-[3-ethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine

C13H25N3O3S — CID 104931361

IUPACN-[3-ethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine
SMILESCCC1CN(S(=O)(=O)N2CCCCC2C)CCC1=NO
InChIInChI=1S/C13H25N3O3S/c1-3-12-10-15(9-7-13(12)14-17)20(18,19)16-8-5-4-6-11(16)2/h11-12,17H,3-10H2,1-2H3
InChIKeyPOUFFWSFTSWJJI-UHFFFAOYSA-N
MW303.43 g/mol
LogP1.67
Rot. Bonds3

About N-[3-ethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine

N-[3-ethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine (PubChem CID 104931361) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[3-ethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-ethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine
PubChem CID104931361
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC NameN-[3-ethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine
SMILESCCC1CN(S(=O)(=O)N2CCCCC2C)CCC1=NO
InChIInChI=1S/C13H25N3O3S/c1-3-12-10-15(9-7-13(12)14-17)20(18,19)16-8-5-4-6-11(16)2/h11-12,17H,3-10H2,1-2H3
InChIKeyPOUFFWSFTSWJJI-UHFFFAOYSA-N
XLogP1.67
TPSA73.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.67
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-[3-ethyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine
CID 104931344
N-(3-ethyl-1-propylsulfonylpiperidin-4-ylidene)hydroxylamine
CID 104931372
N-[1-(3,3-dimethylbutylsulfonyl)-3-ethylpiperidin-4-ylidene]hydroxylamine
CID 103521276
2-methyl-1-piperidin-1-ylsulfonylpiperidine
CID 60723774
3-ethyl-4-hydroxyimino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 104978049
ethyl (3R)-1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxylate
CID 81308957
[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972063
1-[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]ethanamine
CID 113360742
2-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]acetamide
CID 47319363
(NE)-N-[1-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylpiperidin-4-ylidene]hydroxylamine
CID 106606120
N-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714929
1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carbaldehyde
CID 55258735

Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[3-ethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine (CID 104931361) is N-[3-ethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[3-ethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[3-ethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine is CCC1CN(S(=O)(=O)N2CCCCC2C)CCC1=NO.
What is the InChIKey of N-[3-ethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine?
The InChIKey is POUFFWSFTSWJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-3-12-10-15(9-7-13(12)14-17)20(18,19)16-8-5-4-6-11(16)2/h11-12,17H,3-10H2,1-2H3.
What are the key properties of N-[3-ethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine?
N-[3-ethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine has a molecular weight of 303.43 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 104931361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).