(NE)-N-(2-octylsulfonylcyclooctylidene)hydroxylamine

C16H31NO3S — CID 6091093

IUPAC(NE)-N-(2-octylsulfonylcyclooctylidene)hydroxylamine
SMILESCCCCCCCCS(=O)(=O)C1CCCCCC/C1=N\O
InChIInChI=1S/C16H31NO3S/c1-2-3-4-5-8-11-14-21(19,20)16-13-10-7-6-9-12-15(16)17-18/h16,18H,2-14H2,1H3/b17-15+
InChIKeyCSGBVAMBSRWGTF-BMRADRMJSA-N
MW317.50 g/mol
LogP4.31
Rot. Bonds8

About (NE)-N-(2-octylsulfonylcyclooctylidene)hydroxylamine

(NE)-N-(2-octylsulfonylcyclooctylidene)hydroxylamine (PubChem CID 6091093) has the molecular formula C16H31NO3S and a molecular weight of 317.50 g/mol. Its IUPAC name is (NE)-N-(2-octylsulfonylcyclooctylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2-octylsulfonylcyclooctylidene)hydroxylamine
PubChem CID6091093
Molecular FormulaC16H31NO3S
Molecular Weight317.50 g/mol
Exact Mass317.20
IUPAC Name(NE)-N-(2-octylsulfonylcyclooctylidene)hydroxylamine
SMILESCCCCCCCCS(=O)(=O)C1CCCCCC/C1=N\O
InChIInChI=1S/C16H31NO3S/c1-2-3-4-5-8-11-14-21(19,20)16-13-10-7-6-9-12-15(16)17-18/h16,18H,2-14H2,1H3/b17-15+
InChIKeyCSGBVAMBSRWGTF-BMRADRMJSA-N
XLogP4.31
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

CID 3431602
CID 3431602
CID 3435059
CID 3435059
CID 3591161
CID 3591161
CID 4058319
CID 4058319
CID 4402279
CID 4402279
CID 4434595
CID 4434595
CID 4622270
CID 4622270
CID 5152145
CID 5152145
CID 5824434
CID 5824434
CID 5825360
CID 5825360
CID 5869399
CID 5869399
CID 5999847
CID 5999847

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(2-octylsulfonylcyclooctylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2-octylsulfonylcyclooctylidene)hydroxylamine (CID 6091093) is (NE)-N-(2-octylsulfonylcyclooctylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2-octylsulfonylcyclooctylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2-octylsulfonylcyclooctylidene)hydroxylamine is CCCCCCCCS(=O)(=O)C1CCCCCC/C1=N\O.
What is the InChIKey of (NE)-N-(2-octylsulfonylcyclooctylidene)hydroxylamine?
The InChIKey is CSGBVAMBSRWGTF-BMRADRMJSA-N. The full InChI is InChI=1S/C16H31NO3S/c1-2-3-4-5-8-11-14-21(19,20)16-13-10-7-6-9-12-15(16)17-18/h16,18H,2-14H2,1H3/b17-15+.
What are the key properties of (NE)-N-(2-octylsulfonylcyclooctylidene)hydroxylamine?
(NE)-N-(2-octylsulfonylcyclooctylidene)hydroxylamine has a molecular weight of 317.50 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2-octylsulfonylcyclooctylidene)hydroxylamine is sourced from PubChem (CID 6091093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).