(Z)-2-[[(1S)-cyclohex-3-en-1-yl]amino]ethenesulfonic acid

C8H13NO3S — CID 73330341

IUPAC(Z)-2-[[(1S)-cyclohex-3-en-1-yl]amino]ethenesulfonic acid
SMILESO=S(=O)(O)/C=C\N[C@@H]1CC=CCC1
InChIInChI=1S/C8H13NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h1-2,6-9H,3-5H2,(H,10,11,12)/b7-6-/t8-/m1/s1
InChIKeyXACBCDWHNBLRQQ-NFXKFNAJSA-N
MW203.26 g/mol
LogP1.04
Rot. Bonds3

About (Z)-2-[[(1S)-cyclohex-3-en-1-yl]amino]ethenesulfonic acid

(Z)-2-[[(1S)-cyclohex-3-en-1-yl]amino]ethenesulfonic acid (PubChem CID 73330341) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is (Z)-2-[[(1S)-cyclohex-3-en-1-yl]amino]ethenesulfonic acid.

Molecular Properties

Compound Name(Z)-2-[[(1S)-cyclohex-3-en-1-yl]amino]ethenesulfonic acid
PubChem CID73330341
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name(Z)-2-[[(1S)-cyclohex-3-en-1-yl]amino]ethenesulfonic acid
SMILESO=S(=O)(O)/C=C\N[C@@H]1CC=CCC1
InChIInChI=1S/C8H13NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h1-2,6-9H,3-5H2,(H,10,11,12)/b7-6-/t8-/m1/s1
InChIKeyXACBCDWHNBLRQQ-NFXKFNAJSA-N
XLogP1.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze (Z)-2-[[(1S)-cyclohex-3-en-1-yl]amino]ethenesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Cyclohexen-1-ylamino)ethanesulfonic acid
CID 92044988
2-(Cyclohex-3-en-1-ylamino)ethanesulfonic acid
CID 129037256
3-(Cyclohexen-1-ylamino)propane-1-sulfonic acid
CID 16122574
2-[[(1R)-cyclohex-3-en-1-yl]amino]ethanesulfonic acid
CID 24752847
2-[[(1S)-cyclohex-2-en-1-yl]amino]ethanesulfonic acid
CID 24820115
3-[[(1S)-cyclohex-2-en-1-yl]amino]propane-1-sulfonic acid
CID 42627351
2-[[(1R)-cyclohex-2-en-1-yl]amino]ethanesulfonic acid
CID 44228997
3-[[(1S)-cyclohex-3-en-1-yl]amino]propane-1-sulfonic acid
CID 46829303
2-[[(1S)-cyclohex-3-en-1-yl]amino]ethanesulfonic acid
CID 53338892
3-[[(1R)-cyclohex-2-en-1-yl]amino]propane-1-sulfonic acid
CID 53361980
3-[[(1R)-cyclohex-3-en-1-yl]amino]propane-1-sulfonic acid
CID 126456395
(Cyclohex-3-en-1-ylamino)methanesulfonic acid
CID 18474368

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[[(1S)-cyclohex-3-en-1-yl]amino]ethenesulfonic acid?
The IUPAC name of (Z)-2-[[(1S)-cyclohex-3-en-1-yl]amino]ethenesulfonic acid (CID 73330341) is (Z)-2-[[(1S)-cyclohex-3-en-1-yl]amino]ethenesulfonic acid.
What is the SMILES notation for (Z)-2-[[(1S)-cyclohex-3-en-1-yl]amino]ethenesulfonic acid?
The canonical SMILES for (Z)-2-[[(1S)-cyclohex-3-en-1-yl]amino]ethenesulfonic acid is O=S(=O)(O)/C=C\N[C@@H]1CC=CCC1.
What is the InChIKey of (Z)-2-[[(1S)-cyclohex-3-en-1-yl]amino]ethenesulfonic acid?
The InChIKey is XACBCDWHNBLRQQ-NFXKFNAJSA-N. The full InChI is InChI=1S/C8H13NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h1-2,6-9H,3-5H2,(H,10,11,12)/b7-6-/t8-/m1/s1.
What are the key properties of (Z)-2-[[(1S)-cyclohex-3-en-1-yl]amino]ethenesulfonic acid?
(Z)-2-[[(1S)-cyclohex-3-en-1-yl]amino]ethenesulfonic acid has a molecular weight of 203.26 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[[(1S)-cyclohex-3-en-1-yl]amino]ethenesulfonic acid is sourced from PubChem (CID 73330341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).