N-[(1R)-6-amino-2-iminocyclohex-3-en-1-yl]thiohydroxylamine

C6H11N3S — CID 89074005

IUPACN-[(1R)-6-amino-2-iminocyclohex-3-en-1-yl]thiohydroxylamine
SMILES[H]/N=C1\C=CCC(N)[C@H]1NS
InChIInChI=1S/C6H11N3S/c7-4-2-1-3-5(8)6(4)9-10/h1-2,5-7,9-10H,3,8H2/b7-4+/t5?,6-/m0/s1
InChIKeyKVPIXQYUKBCVSH-OGUOIROFSA-N
MW157.24 g/mol
LogP0.10
Rot. Bonds1

About N-[(1R)-6-amino-2-iminocyclohex-3-en-1-yl]thiohydroxylamine

N-[(1R)-6-amino-2-iminocyclohex-3-en-1-yl]thiohydroxylamine (PubChem CID 89074005) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is N-[(1R)-6-amino-2-iminocyclohex-3-en-1-yl]thiohydroxylamine.

Molecular Properties

Compound NameN-[(1R)-6-amino-2-iminocyclohex-3-en-1-yl]thiohydroxylamine
PubChem CID89074005
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC NameN-[(1R)-6-amino-2-iminocyclohex-3-en-1-yl]thiohydroxylamine
SMILES[H]/N=C1\C=CCC(N)[C@H]1NS
InChIInChI=1S/C6H11N3S/c7-4-2-1-3-5(8)6(4)9-10/h1-2,5-7,9-10H,3,8H2/b7-4+/t5?,6-/m0/s1
InChIKeyKVPIXQYUKBCVSH-OGUOIROFSA-N
XLogP0.10
TPSA61.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-6-amino-2-iminocyclohex-3-en-1-yl]thiohydroxylamine?
The IUPAC name of N-[(1R)-6-amino-2-iminocyclohex-3-en-1-yl]thiohydroxylamine (CID 89074005) is N-[(1R)-6-amino-2-iminocyclohex-3-en-1-yl]thiohydroxylamine.
What is the SMILES notation for N-[(1R)-6-amino-2-iminocyclohex-3-en-1-yl]thiohydroxylamine?
The canonical SMILES for N-[(1R)-6-amino-2-iminocyclohex-3-en-1-yl]thiohydroxylamine is [H]/N=C1\C=CCC(N)[C@H]1NS.
What is the InChIKey of N-[(1R)-6-amino-2-iminocyclohex-3-en-1-yl]thiohydroxylamine?
The InChIKey is KVPIXQYUKBCVSH-OGUOIROFSA-N. The full InChI is InChI=1S/C6H11N3S/c7-4-2-1-3-5(8)6(4)9-10/h1-2,5-7,9-10H,3,8H2/b7-4+/t5?,6-/m0/s1.
What are the key properties of N-[(1R)-6-amino-2-iminocyclohex-3-en-1-yl]thiohydroxylamine?
N-[(1R)-6-amino-2-iminocyclohex-3-en-1-yl]thiohydroxylamine has a molecular weight of 157.24 g/mol, XLogP of 0.10, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-6-amino-2-iminocyclohex-3-en-1-yl]thiohydroxylamine is sourced from PubChem (CID 89074005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).