4-[(1R,3R)-2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropyl]benzenesulfonamide

C14H19NO2S — CID 129180787

IUPAC4-[(1R,3R)-2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropyl]benzenesulfonamide
SMILESC/C=C/[C@@H]1[C@@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C
InChIInChI=1S/C14H19NO2S/c1-4-5-12-13(14(12,2)3)10-6-8-11(9-7-10)18(15,16)17/h4-9,12-13H,1-3H3,(H2,15,16,17)/b5-4+/t12-,13-/m1/s1
InChIKeyCBJRBCLQVCMSNL-IJWDBEHRSA-N
MW265.38 g/mol
LogP2.65
Rot. Bonds3

About 4-[(1R,3R)-2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropyl]benzenesulfonamide

4-[(1R,3R)-2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropyl]benzenesulfonamide (PubChem CID 129180787) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-[(1R,3R)-2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1R,3R)-2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropyl]benzenesulfonamide
PubChem CID129180787
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name4-[(1R,3R)-2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropyl]benzenesulfonamide
SMILESC/C=C/[C@@H]1[C@@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C
InChIInChI=1S/C14H19NO2S/c1-4-5-12-13(14(12,2)3)10-6-8-11(9-7-10)18(15,16)17/h4-9,12-13H,1-3H3,(H2,15,16,17)/b5-4+/t12-,13-/m1/s1
InChIKeyCBJRBCLQVCMSNL-IJWDBEHRSA-N
XLogP2.65
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,3R)-2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropyl]benzenesulfonamide?
The IUPAC name of 4-[(1R,3R)-2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropyl]benzenesulfonamide (CID 129180787) is 4-[(1R,3R)-2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1R,3R)-2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropyl]benzenesulfonamide?
The canonical SMILES for 4-[(1R,3R)-2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropyl]benzenesulfonamide is C/C=C/[C@@H]1[C@@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C.
What is the InChIKey of 4-[(1R,3R)-2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropyl]benzenesulfonamide?
The InChIKey is CBJRBCLQVCMSNL-IJWDBEHRSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-4-5-12-13(14(12,2)3)10-6-8-11(9-7-10)18(15,16)17/h4-9,12-13H,1-3H3,(H2,15,16,17)/b5-4+/t12-,13-/m1/s1.
What are the key properties of 4-[(1R,3R)-2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropyl]benzenesulfonamide?
4-[(1R,3R)-2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropyl]benzenesulfonamide has a molecular weight of 265.38 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,3R)-2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 129180787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).