S-[(2S,3S)-3-cyclobutylpent-4-en-2-yl]thiohydroxylamine

C9H17NS — CID 163883374

IUPACS-[(2S,3S)-3-cyclobutylpent-4-en-2-yl]thiohydroxylamine
SMILESC=C[C@@H](C1CCC1)[C@H](C)SN
InChIInChI=1S/C9H17NS/c1-3-9(7(2)11-10)8-5-4-6-8/h3,7-9H,1,4-6,10H2,2H3/t7-,9+/m0/s1
InChIKeyPVFOMWPIAMVHGN-IONNQARKSA-N
MW171.31 g/mol
LogP2.58
Rot. Bonds4

About S-[(2S,3S)-3-cyclobutylpent-4-en-2-yl]thiohydroxylamine

S-[(2S,3S)-3-cyclobutylpent-4-en-2-yl]thiohydroxylamine (PubChem CID 163883374) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is S-[(2S,3S)-3-cyclobutylpent-4-en-2-yl]thiohydroxylamine.

Molecular Properties

Compound NameS-[(2S,3S)-3-cyclobutylpent-4-en-2-yl]thiohydroxylamine
PubChem CID163883374
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC NameS-[(2S,3S)-3-cyclobutylpent-4-en-2-yl]thiohydroxylamine
SMILESC=C[C@@H](C1CCC1)[C@H](C)SN
InChIInChI=1S/C9H17NS/c1-3-9(7(2)11-10)8-5-4-6-8/h3,7-9H,1,4-6,10H2,2H3/t7-,9+/m0/s1
InChIKeyPVFOMWPIAMVHGN-IONNQARKSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.58
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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Related Compounds

S-[(2S)-1-cyclobutyl-2-methylpent-4-enyl]thiohydroxylamine
CID 146361058
3-cycloheptyl-2-ethylpent-4-enamide
CID 174948640
dimethyl 2-[(1R)-1-cyclohexylprop-2-enyl]propanedioate
CID 102383216
[3-(cyclopropylmethyl)-5,6-dimethylhept-1-en-4-yl]cyclopentane
CID 163545018
[(1S)-1-cyclohexylprop-2-enyl]azanium chloride
CID 134963376
4-cyclopropylpent-1-en-3-amine
CID 105000971
1-cyclobutylpropane-1,2-diamine
CID 116932568
(1S)-1-cyclobutylethanamine;hydron;chloride
CID 118957169
5-methylhept-6-en-2-ylcyclohexane
CID 145312672
1-cyclopropyl-2-methylbut-3-en-1-one
CID 15467074
N-but-3-en-2-ylcyclopentanamine
CID 115727919
but-3-en-2-ylsulfanylcyclopentane
CID 59882078

Frequently Asked Questions

What is the IUPAC name of S-[(2S,3S)-3-cyclobutylpent-4-en-2-yl]thiohydroxylamine?
The IUPAC name of S-[(2S,3S)-3-cyclobutylpent-4-en-2-yl]thiohydroxylamine (CID 163883374) is S-[(2S,3S)-3-cyclobutylpent-4-en-2-yl]thiohydroxylamine.
What is the SMILES notation for S-[(2S,3S)-3-cyclobutylpent-4-en-2-yl]thiohydroxylamine?
The canonical SMILES for S-[(2S,3S)-3-cyclobutylpent-4-en-2-yl]thiohydroxylamine is C=C[C@@H](C1CCC1)[C@H](C)SN.
What is the InChIKey of S-[(2S,3S)-3-cyclobutylpent-4-en-2-yl]thiohydroxylamine?
The InChIKey is PVFOMWPIAMVHGN-IONNQARKSA-N. The full InChI is InChI=1S/C9H17NS/c1-3-9(7(2)11-10)8-5-4-6-8/h3,7-9H,1,4-6,10H2,2H3/t7-,9+/m0/s1.
What are the key properties of S-[(2S,3S)-3-cyclobutylpent-4-en-2-yl]thiohydroxylamine?
S-[(2S,3S)-3-cyclobutylpent-4-en-2-yl]thiohydroxylamine has a molecular weight of 171.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(2S,3S)-3-cyclobutylpent-4-en-2-yl]thiohydroxylamine is sourced from PubChem (CID 163883374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).