(NE)-N-[(2R)-2-methylsulfanylcyclohexylidene]hydroxylamine

C7H13NOS — CID 139063779

IUPAC(NE)-N-[(2R)-2-methylsulfanylcyclohexylidene]hydroxylamine
SMILESCS[C@@H]1CCCC/C1=N\O
InChIInChI=1S/C7H13NOS/c1-10-7-5-3-2-4-6(7)8-9/h7,9H,2-5H2,1H3/b8-6+/t7-/m1/s1
InChIKeyPAAMEWRZFHDUTJ-UQBZRGDZSA-N
MW159.25 g/mol
LogP2.12
Rot. Bonds1

About (NE)-N-[(2R)-2-methylsulfanylcyclohexylidene]hydroxylamine

(NE)-N-[(2R)-2-methylsulfanylcyclohexylidene]hydroxylamine (PubChem CID 139063779) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is (NE)-N-[(2R)-2-methylsulfanylcyclohexylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2R)-2-methylsulfanylcyclohexylidene]hydroxylamine
PubChem CID139063779
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name(NE)-N-[(2R)-2-methylsulfanylcyclohexylidene]hydroxylamine
SMILESCS[C@@H]1CCCC/C1=N\O
InChIInChI=1S/C7H13NOS/c1-10-7-5-3-2-4-6(7)8-9/h7,9H,2-5H2,1H3/b8-6+/t7-/m1/s1
InChIKeyPAAMEWRZFHDUTJ-UQBZRGDZSA-N
XLogP2.12
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze (NE)-N-[(2R)-2-methylsulfanylcyclohexylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tetrahydrothiopyran-4-one oxime
CID 237774
2-Butanone, 3-(methylthio)-, oxime
CID 2794915
3-(Methylsulfanyl)butan-2-one oxime
CID 5712107
3-(Methylthio)butan-2-one oxime
CID 5745504
(NZ)-N-(1-methylsulfanylbutan-2-ylidene)hydroxylamine
CID 6365421
1-(Methylthio)butan-2-one oxime
CID 6432885
Thioxan-3-one, oxime
CID 5708639
methyl (1Z)-N-hydroxyhexanimidothioate
CID 15164607
Methyl(2-methylthioethyl)ketone oxime
CID 85711716
2-Butanone, 1-(methylthio)-, oxime
CID 3016057
Paamewrzfhdutj-sofgywhqsa-
CID 21604082
N-(thian-3-ylidene)hydroxylamine
CID 582808

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2R)-2-methylsulfanylcyclohexylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2R)-2-methylsulfanylcyclohexylidene]hydroxylamine (CID 139063779) is (NE)-N-[(2R)-2-methylsulfanylcyclohexylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2R)-2-methylsulfanylcyclohexylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2R)-2-methylsulfanylcyclohexylidene]hydroxylamine is CS[C@@H]1CCCC/C1=N\O.
What is the InChIKey of (NE)-N-[(2R)-2-methylsulfanylcyclohexylidene]hydroxylamine?
The InChIKey is PAAMEWRZFHDUTJ-UQBZRGDZSA-N. The full InChI is InChI=1S/C7H13NOS/c1-10-7-5-3-2-4-6(7)8-9/h7,9H,2-5H2,1H3/b8-6+/t7-/m1/s1.
What are the key properties of (NE)-N-[(2R)-2-methylsulfanylcyclohexylidene]hydroxylamine?
(NE)-N-[(2R)-2-methylsulfanylcyclohexylidene]hydroxylamine has a molecular weight of 159.25 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2R)-2-methylsulfanylcyclohexylidene]hydroxylamine is sourced from PubChem (CID 139063779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).