(NZ)-N-[(4E,8E,12S)-12-pyridin-2-ylsulfanylcyclododeca-4,8-dien-1-ylidene]hydroxylamine

C17H22N2OS — CID 40528032

IUPAC(NZ)-N-[(4E,8E,12S)-12-pyridin-2-ylsulfanylcyclododeca-4,8-dien-1-ylidene]hydroxylamine
SMILESO/N=C1/CC/C=C/CC/C=C/CC[C@@H]1Sc1ccccn1
InChIInChI=1S/C17H22N2OS/c20-19-15-11-7-5-3-1-2-4-6-8-12-16(15)21-17-13-9-10-14-18-17/h3-6,9-10,13-14,16,20H,1-2,7-8,11-12H2/b5-3+,6-4+,19-15-/t16-/m0/s1
InChIKeyODPYZSKKUGVOPB-WRPCCQJOSA-N
MW302.44 g/mol
LogP4.84
Rot. Bonds2

About (NZ)-N-[(4E,8E,12S)-12-pyridin-2-ylsulfanylcyclododeca-4,8-dien-1-ylidene]hydroxylamine

(NZ)-N-[(4E,8E,12S)-12-pyridin-2-ylsulfanylcyclododeca-4,8-dien-1-ylidene]hydroxylamine (PubChem CID 40528032) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is (NZ)-N-[(4E,8E,12S)-12-pyridin-2-ylsulfanylcyclododeca-4,8-dien-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(4E,8E,12S)-12-pyridin-2-ylsulfanylcyclododeca-4,8-dien-1-ylidene]hydroxylamine
PubChem CID40528032
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name(NZ)-N-[(4E,8E,12S)-12-pyridin-2-ylsulfanylcyclododeca-4,8-dien-1-ylidene]hydroxylamine
SMILESO/N=C1/CC/C=C/CC/C=C/CC[C@@H]1Sc1ccccn1
InChIInChI=1S/C17H22N2OS/c20-19-15-11-7-5-3-1-2-4-6-8-12-16(15)21-17-13-9-10-14-18-17/h3-6,9-10,13-14,16,20H,1-2,7-8,11-12H2/b5-3+,6-4+,19-15-/t16-/m0/s1
InChIKeyODPYZSKKUGVOPB-WRPCCQJOSA-N
XLogP4.84
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (NZ)-N-[(4E,8E,12S)-12-pyridin-2-ylsulfanylcyclododeca-4,8-dien-1-ylidene]hydroxylamine with MolForge

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Related Compounds

2-[(4Z)-8-chlorocyclooct-4-en-1-yl]sulfanylpyridine
CID 155292873
2-pyridin-2-ylsulfanylcyclohexan-1-ol
CID 13434052
(NE)-N-[(2S)-2-pyridin-2-ylcyclopentylidene]hydroxylamine
CID 7447533
3-pyridin-2-ylsulfanyl-2,3,4,5,6,7-hexahydroinden-1-one
CID 10966784
(NE)-N-[(2S)-2-pyridin-2-ylcyclohexylidene]hydroxylamine
CID 7058762
2-cyclohexa-1,3-dien-1-ylsulfanylpyridine
CID 21467889
4-pyridin-2-ylsulfanylpyrrolidin-3-ol
CID 63703170
2-hydroxysulfanylpyridine
CID 12046445
2-sulfidosulfanylpyridine
CID 102510943
4-methyl-3-pyridin-2-ylsulfanylcyclohexan-1-one
CID 165497200
2-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyridine
CID 10998160
(NE)-N-[(4Z)-8-(3,4-dihydro-2H-quinolin-1-yl)cyclooct-4-en-1-ylidene]hydroxylamine
CID 43835230

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(4E,8E,12S)-12-pyridin-2-ylsulfanylcyclododeca-4,8-dien-1-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(4E,8E,12S)-12-pyridin-2-ylsulfanylcyclododeca-4,8-dien-1-ylidene]hydroxylamine (CID 40528032) is (NZ)-N-[(4E,8E,12S)-12-pyridin-2-ylsulfanylcyclododeca-4,8-dien-1-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(4E,8E,12S)-12-pyridin-2-ylsulfanylcyclododeca-4,8-dien-1-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(4E,8E,12S)-12-pyridin-2-ylsulfanylcyclododeca-4,8-dien-1-ylidene]hydroxylamine is O/N=C1/CC/C=C/CC/C=C/CC[C@@H]1Sc1ccccn1.
What is the InChIKey of (NZ)-N-[(4E,8E,12S)-12-pyridin-2-ylsulfanylcyclododeca-4,8-dien-1-ylidene]hydroxylamine?
The InChIKey is ODPYZSKKUGVOPB-WRPCCQJOSA-N. The full InChI is InChI=1S/C17H22N2OS/c20-19-15-11-7-5-3-1-2-4-6-8-12-16(15)21-17-13-9-10-14-18-17/h3-6,9-10,13-14,16,20H,1-2,7-8,11-12H2/b5-3+,6-4+,19-15-/t16-/m0/s1.
What are the key properties of (NZ)-N-[(4E,8E,12S)-12-pyridin-2-ylsulfanylcyclododeca-4,8-dien-1-ylidene]hydroxylamine?
(NZ)-N-[(4E,8E,12S)-12-pyridin-2-ylsulfanylcyclododeca-4,8-dien-1-ylidene]hydroxylamine has a molecular weight of 302.44 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(4E,8E,12S)-12-pyridin-2-ylsulfanylcyclododeca-4,8-dien-1-ylidene]hydroxylamine is sourced from PubChem (CID 40528032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).