S-[(E)-3-[ethyl(methyl)amino]-2-methylprop-1-enyl]thiohydroxylamine

C7H16N2S — CID 89243544

IUPACS-[(E)-3-[ethyl(methyl)amino]-2-methylprop-1-enyl]thiohydroxylamine
SMILESCCN(C)C/C(C)=C/SN
InChIInChI=1S/C7H16N2S/c1-4-9(3)5-7(2)6-10-8/h6H,4-5,8H2,1-3H3/b7-6+
InChIKeyIZQTWRSBXBEVOG-VOTSOKGWSA-N
MW160.29 g/mol
LogP1.45
Rot. Bonds4

About S-[(E)-3-[ethyl(methyl)amino]-2-methylprop-1-enyl]thiohydroxylamine

S-[(E)-3-[ethyl(methyl)amino]-2-methylprop-1-enyl]thiohydroxylamine (PubChem CID 89243544) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is S-[(E)-3-[ethyl(methyl)amino]-2-methylprop-1-enyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[(E)-3-[ethyl(methyl)amino]-2-methylprop-1-enyl]thiohydroxylamine
PubChem CID89243544
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC NameS-[(E)-3-[ethyl(methyl)amino]-2-methylprop-1-enyl]thiohydroxylamine
SMILESCCN(C)C/C(C)=C/SN
InChIInChI=1S/C7H16N2S/c1-4-9(3)5-7(2)6-10-8/h6H,4-5,8H2,1-3H3/b7-6+
InChIKeyIZQTWRSBXBEVOG-VOTSOKGWSA-N
XLogP1.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-[(E)-3-[ethyl(methyl)amino]-2-methylprop-1-enyl]thiohydroxylamine?
The IUPAC name of S-[(E)-3-[ethyl(methyl)amino]-2-methylprop-1-enyl]thiohydroxylamine (CID 89243544) is S-[(E)-3-[ethyl(methyl)amino]-2-methylprop-1-enyl]thiohydroxylamine.
What is the SMILES notation for S-[(E)-3-[ethyl(methyl)amino]-2-methylprop-1-enyl]thiohydroxylamine?
The canonical SMILES for S-[(E)-3-[ethyl(methyl)amino]-2-methylprop-1-enyl]thiohydroxylamine is CCN(C)C/C(C)=C/SN.
What is the InChIKey of S-[(E)-3-[ethyl(methyl)amino]-2-methylprop-1-enyl]thiohydroxylamine?
The InChIKey is IZQTWRSBXBEVOG-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H16N2S/c1-4-9(3)5-7(2)6-10-8/h6H,4-5,8H2,1-3H3/b7-6+.
What are the key properties of S-[(E)-3-[ethyl(methyl)amino]-2-methylprop-1-enyl]thiohydroxylamine?
S-[(E)-3-[ethyl(methyl)amino]-2-methylprop-1-enyl]thiohydroxylamine has a molecular weight of 160.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(E)-3-[ethyl(methyl)amino]-2-methylprop-1-enyl]thiohydroxylamine is sourced from PubChem (CID 89243544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).