(E)-N-propan-2-ylhex-3-ene-1-sulfonamide

C9H19NO2S — CID 118884462

IUPAC(E)-N-propan-2-ylhex-3-ene-1-sulfonamide
SMILESCC/C=C/CCS(=O)(=O)NC(C)C
InChIInChI=1S/C9H19NO2S/c1-4-5-6-7-8-13(11,12)10-9(2)3/h5-6,9-10H,4,7-8H2,1-3H3/b6-5+
InChIKeyVQXJAJYGVMQOGT-AATRIKPKSA-N
MW205.32 g/mol
LogP1.67
Rot. Bonds6

About (E)-N-propan-2-ylhex-3-ene-1-sulfonamide

(E)-N-propan-2-ylhex-3-ene-1-sulfonamide (PubChem CID 118884462) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is (E)-N-propan-2-ylhex-3-ene-1-sulfonamide.

Molecular Properties

Compound Name(E)-N-propan-2-ylhex-3-ene-1-sulfonamide
PubChem CID118884462
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name(E)-N-propan-2-ylhex-3-ene-1-sulfonamide
SMILESCC/C=C/CCS(=O)(=O)NC(C)C
InChIInChI=1S/C9H19NO2S/c1-4-5-6-7-8-13(11,12)10-9(2)3/h5-6,9-10H,4,7-8H2,1-3H3/b6-5+
InChIKeyVQXJAJYGVMQOGT-AATRIKPKSA-N
XLogP1.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.67
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 (E)-N-propan-2-ylhex-3-ene-1-sulfonamide?
The IUPAC name of (E)-N-propan-2-ylhex-3-ene-1-sulfonamide (CID 118884462) is (E)-N-propan-2-ylhex-3-ene-1-sulfonamide.
What is the SMILES notation for (E)-N-propan-2-ylhex-3-ene-1-sulfonamide?
The canonical SMILES for (E)-N-propan-2-ylhex-3-ene-1-sulfonamide is CC/C=C/CCS(=O)(=O)NC(C)C.
What is the InChIKey of (E)-N-propan-2-ylhex-3-ene-1-sulfonamide?
The InChIKey is VQXJAJYGVMQOGT-AATRIKPKSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-4-5-6-7-8-13(11,12)10-9(2)3/h5-6,9-10H,4,7-8H2,1-3H3/b6-5+.
What are the key properties of (E)-N-propan-2-ylhex-3-ene-1-sulfonamide?
(E)-N-propan-2-ylhex-3-ene-1-sulfonamide has a molecular weight of 205.32 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-propan-2-ylhex-3-ene-1-sulfonamide is sourced from PubChem (CID 118884462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).