S-[(2S)-1-cyclobutyl-2-methylpent-4-enyl]thiohydroxylamine

C10H19NS — CID 146361058

IUPACS-[(2S)-1-cyclobutyl-2-methylpent-4-enyl]thiohydroxylamine
SMILESC=CC[C@H](C)C(SN)C1CCC1
InChIInChI=1S/C10H19NS/c1-3-5-8(2)10(12-11)9-6-4-7-9/h3,8-10H,1,4-7,11H2,2H3/t8-,10?/m0/s1
InChIKeyIWTWMADVMTZVNK-PEHGTWAWSA-N
MW185.34 g/mol
LogP2.97
Rot. Bonds5

About S-[(2S)-1-cyclobutyl-2-methylpent-4-enyl]thiohydroxylamine

S-[(2S)-1-cyclobutyl-2-methylpent-4-enyl]thiohydroxylamine (PubChem CID 146361058) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is S-[(2S)-1-cyclobutyl-2-methylpent-4-enyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[(2S)-1-cyclobutyl-2-methylpent-4-enyl]thiohydroxylamine
PubChem CID146361058
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC NameS-[(2S)-1-cyclobutyl-2-methylpent-4-enyl]thiohydroxylamine
SMILESC=CC[C@H](C)C(SN)C1CCC1
InChIInChI=1S/C10H19NS/c1-3-5-8(2)10(12-11)9-6-4-7-9/h3,8-10H,1,4-7,11H2,2H3/t8-,10?/m0/s1
InChIKeyIWTWMADVMTZVNK-PEHGTWAWSA-N
XLogP2.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-[(2S)-1-cyclobutyl-2-methylpent-4-enyl]thiohydroxylamine?
The IUPAC name of S-[(2S)-1-cyclobutyl-2-methylpent-4-enyl]thiohydroxylamine (CID 146361058) is S-[(2S)-1-cyclobutyl-2-methylpent-4-enyl]thiohydroxylamine.
What is the SMILES notation for S-[(2S)-1-cyclobutyl-2-methylpent-4-enyl]thiohydroxylamine?
The canonical SMILES for S-[(2S)-1-cyclobutyl-2-methylpent-4-enyl]thiohydroxylamine is C=CC[C@H](C)C(SN)C1CCC1.
What is the InChIKey of S-[(2S)-1-cyclobutyl-2-methylpent-4-enyl]thiohydroxylamine?
The InChIKey is IWTWMADVMTZVNK-PEHGTWAWSA-N. The full InChI is InChI=1S/C10H19NS/c1-3-5-8(2)10(12-11)9-6-4-7-9/h3,8-10H,1,4-7,11H2,2H3/t8-,10?/m0/s1.
What are the key properties of S-[(2S)-1-cyclobutyl-2-methylpent-4-enyl]thiohydroxylamine?
S-[(2S)-1-cyclobutyl-2-methylpent-4-enyl]thiohydroxylamine has a molecular weight of 185.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(2S)-1-cyclobutyl-2-methylpent-4-enyl]thiohydroxylamine is sourced from PubChem (CID 146361058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).