(NE)-N-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclooctylidene]hydroxylamine

C10H17N5OS — CID 98156144

IUPAC(NE)-N-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclooctylidene]hydroxylamine
SMILESCn1nnnc1S[C@@H]1CCCCCC/C1=N\O
InChIInChI=1S/C10H17N5OS/c1-15-10(11-13-14-15)17-9-7-5-3-2-4-6-8(9)12-16/h9,16H,2-7H2,1H3/b12-8+/t9-/m1/s1
InChIKeyDMIRMLMMOVEXNM-YXYQAXARSA-N
MW255.35 g/mol
LogP1.86
Rot. Bonds2

About (NE)-N-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclooctylidene]hydroxylamine

(NE)-N-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclooctylidene]hydroxylamine (PubChem CID 98156144) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is (NE)-N-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclooctylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclooctylidene]hydroxylamine
PubChem CID98156144
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name(NE)-N-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclooctylidene]hydroxylamine
SMILESCn1nnnc1S[C@@H]1CCCCCC/C1=N\O
InChIInChI=1S/C10H17N5OS/c1-15-10(11-13-14-15)17-9-7-5-3-2-4-6-8(9)12-16/h9,16H,2-7H2,1H3/b12-8+/t9-/m1/s1
InChIKeyDMIRMLMMOVEXNM-YXYQAXARSA-N
XLogP1.86
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

trans-(1R,2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-ol
CID 102732739
2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-ol
CID 60714690
3-(1-methyltetrazol-5-yl)sulfanylazepan-2-one
CID 42930234
(NE)-N-[(2R)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclooctylidene]hydroxylamine
CID 98156149
(NE)-N-[(2R)-2-phenylsulfanylcycloheptylidene]hydroxylamine
CID 177450432
(NE)-N-[(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cyclooctylidene]hydroxylamine
CID 40549322
(NZ)-N-(2-ethylsulfanylcyclooctylidene)hydroxylamine
CID 5370419
2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-amine
CID 64621182
N-methyl-2-(1-methyltetrazol-5-yl)sulfanylcyclooctan-1-amine
CID 64620986
(NZ)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclooctylidene]hydroxylamine
CID 18530213
1-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 115576378
1-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 115648631

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclooctylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclooctylidene]hydroxylamine (CID 98156144) is (NE)-N-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclooctylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclooctylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclooctylidene]hydroxylamine is Cn1nnnc1S[C@@H]1CCCCCC/C1=N\O.
What is the InChIKey of (NE)-N-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclooctylidene]hydroxylamine?
The InChIKey is DMIRMLMMOVEXNM-YXYQAXARSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-15-10(11-13-14-15)17-9-7-5-3-2-4-6-8(9)12-16/h9,16H,2-7H2,1H3/b12-8+/t9-/m1/s1.
What are the key properties of (NE)-N-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclooctylidene]hydroxylamine?
(NE)-N-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclooctylidene]hydroxylamine has a molecular weight of 255.35 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclooctylidene]hydroxylamine is sourced from PubChem (CID 98156144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).