1-iminopent-2-ene-1-sulfinic acid

C5H9NO2S — CID 174795798

IUPAC1-iminopent-2-ene-1-sulfinic acid
SMILES[H]/N=C(\C=CCC)S(=O)O
InChIInChI=1S/C5H9NO2S/c1-2-3-4-5(6)9(7)8/h3-4,6H,2H2,1H3,(H,7,8)/b4-3?,6-5+
InChIKeyIPOCTADDNLCOSJ-DSSYRYGXSA-N
MW147.20 g/mol
LogP1.15
Rot. Bonds2

About 1-iminopent-2-ene-1-sulfinic acid

1-iminopent-2-ene-1-sulfinic acid (PubChem CID 174795798) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is 1-iminopent-2-ene-1-sulfinic acid.

Molecular Properties

Compound Name1-iminopent-2-ene-1-sulfinic acid
PubChem CID174795798
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name1-iminopent-2-ene-1-sulfinic acid
SMILES[H]/N=C(\C=CCC)S(=O)O
InChIInChI=1S/C5H9NO2S/c1-2-3-4-5(6)9(7)8/h3-4,6H,2H2,1H3,(H,7,8)/b4-3?,6-5+
InChIKeyIPOCTADDNLCOSJ-DSSYRYGXSA-N
XLogP1.15
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

pent-2-enimidamide
CID 74821450
ethyl (E)-pent-2-enimidate
CID 55267720
(E)-pent-2-enoic acid
CID 638122
hexane;hex-3-en-2-one
CID 159035878
pent-2-enoic acid;hydrochloride
CID 156883966
(2E,4Z)-N,N-dimethylhepta-2,4-diene-3-sulfinamide
CID 143296475
(2Z,4E)-1-iminohepta-2,4-dien-3-amine
CID 155149105
1-aminohept-4-en-3-one
CID 141202462
ethane;(Z,2E)-2-prop-2-enylidenehex-3-enimidamide
CID 142843946
pentasodium;pentakis((E)-pent-2-enoate)
CID 91885279
sodium pent-2-enoate
CID 141188038
(E)-dec-7-ene-3,6-dione
CID 88902594

Frequently Asked Questions

What is the IUPAC name of 1-iminopent-2-ene-1-sulfinic acid?
The IUPAC name of 1-iminopent-2-ene-1-sulfinic acid (CID 174795798) is 1-iminopent-2-ene-1-sulfinic acid.
What is the SMILES notation for 1-iminopent-2-ene-1-sulfinic acid?
The canonical SMILES for 1-iminopent-2-ene-1-sulfinic acid is [H]/N=C(\C=CCC)S(=O)O.
What is the InChIKey of 1-iminopent-2-ene-1-sulfinic acid?
The InChIKey is IPOCTADDNLCOSJ-DSSYRYGXSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-2-3-4-5(6)9(7)8/h3-4,6H,2H2,1H3,(H,7,8)/b4-3?,6-5+.
What are the key properties of 1-iminopent-2-ene-1-sulfinic acid?
1-iminopent-2-ene-1-sulfinic acid has a molecular weight of 147.20 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iminopent-2-ene-1-sulfinic acid is sourced from PubChem (CID 174795798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).