(NE)-N-[1-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperidin-4-ylidene]hydroxylamine

C11H15ClN2O3S2 — CID 114509445

IUPAC(NE)-N-[1-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperidin-4-ylidene]hydroxylamine
SMILESCCC1CN(S(=O)(=O)c2ccc(Cl)s2)CC/C1=N\O
InChIInChI=1S/C11H15ClN2O3S2/c1-2-8-7-14(6-5-9(8)13-15)19(16,17)11-4-3-10(12)18-11/h3-4,8,15H,2,5-7H2,1H3/b13-9+
InChIKeyNDCMUHWJQPNCHG-UKTHLTGXSA-N
MW322.84 g/mol
LogP2.65
Rot. Bonds3

About (NE)-N-[1-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperidin-4-ylidene]hydroxylamine

(NE)-N-[1-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperidin-4-ylidene]hydroxylamine (PubChem CID 114509445) has the molecular formula C11H15ClN2O3S2 and a molecular weight of 322.84 g/mol. Its IUPAC name is (NE)-N-[1-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperidin-4-ylidene]hydroxylamine
PubChem CID114509445
Molecular FormulaC11H15ClN2O3S2
Molecular Weight322.84 g/mol
Exact Mass322.02
IUPAC Name(NE)-N-[1-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperidin-4-ylidene]hydroxylamine
SMILESCCC1CN(S(=O)(=O)c2ccc(Cl)s2)CC/C1=N\O
InChIInChI=1S/C11H15ClN2O3S2/c1-2-8-7-14(6-5-9(8)13-15)19(16,17)11-4-3-10(12)18-11/h3-4,8,15H,2,5-7H2,1H3/b13-9+
InChIKeyNDCMUHWJQPNCHG-UKTHLTGXSA-N
XLogP2.65
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(NE)-N-[1-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylpiperidin-4-ylidene]hydroxylamine
CID 106606120
1-(5-chlorothiophen-2-yl)sulfonyl-3-methylsulfonylpyrrolidine
CID 90584698
5-(3-ethyl-4-oxopiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 106272217
1-(5-chlorothiophen-2-yl)sulfonyl-2-ethylpiperidine
CID 19682804
1-(5-chlorothiophen-2-yl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide
CID 77039217
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone
CID 63846418
3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]propanoic acid
CID 62215968
1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine
CID 155976722
methyl 2-[(3S)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]sulfanylacetate
CID 99982681
4-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperazin-2-one
CID 63601203
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]butanenitrile
CID 63340783

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperidin-4-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperidin-4-ylidene]hydroxylamine (CID 114509445) is (NE)-N-[1-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperidin-4-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperidin-4-ylidene]hydroxylamine is CCC1CN(S(=O)(=O)c2ccc(Cl)s2)CC/C1=N\O.
What is the InChIKey of (NE)-N-[1-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperidin-4-ylidene]hydroxylamine?
The InChIKey is NDCMUHWJQPNCHG-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H15ClN2O3S2/c1-2-8-7-14(6-5-9(8)13-15)19(16,17)11-4-3-10(12)18-11/h3-4,8,15H,2,5-7H2,1H3/b13-9+.
What are the key properties of (NE)-N-[1-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperidin-4-ylidene]hydroxylamine?
(NE)-N-[1-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperidin-4-ylidene]hydroxylamine has a molecular weight of 322.84 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 114509445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).