(2E,4Z)-N,N-dimethylhepta-2,4-diene-3-sulfinamide

C9H17NOS — CID 143296475

IUPAC(2E,4Z)-N,N-dimethylhepta-2,4-diene-3-sulfinamide
SMILESC/C=C(\C=C/CC)S(=O)N(C)C
InChIInChI=1S/C9H17NOS/c1-5-7-8-9(6-2)12(11)10(3)4/h6-8H,5H2,1-4H3/b8-7-,9-6+
InChIKeyHPIGRUHHTCHCEL-SOKJVCRVSA-N
MW187.31 g/mol
LogP2.08
Rot. Bonds4

About (2E,4Z)-N,N-dimethylhepta-2,4-diene-3-sulfinamide

(2E,4Z)-N,N-dimethylhepta-2,4-diene-3-sulfinamide (PubChem CID 143296475) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is (2E,4Z)-N,N-dimethylhepta-2,4-diene-3-sulfinamide.

Molecular Properties

Compound Name(2E,4Z)-N,N-dimethylhepta-2,4-diene-3-sulfinamide
PubChem CID143296475
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name(2E,4Z)-N,N-dimethylhepta-2,4-diene-3-sulfinamide
SMILESC/C=C(\C=C/CC)S(=O)N(C)C
InChIInChI=1S/C9H17NOS/c1-5-7-8-9(6-2)12(11)10(3)4/h6-8H,5H2,1-4H3/b8-7-,9-6+
InChIKeyHPIGRUHHTCHCEL-SOKJVCRVSA-N
XLogP2.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N,N-dimethylhepta-2,4-diene-3-sulfinamide?
The IUPAC name of (2E,4Z)-N,N-dimethylhepta-2,4-diene-3-sulfinamide (CID 143296475) is (2E,4Z)-N,N-dimethylhepta-2,4-diene-3-sulfinamide.
What is the SMILES notation for (2E,4Z)-N,N-dimethylhepta-2,4-diene-3-sulfinamide?
The canonical SMILES for (2E,4Z)-N,N-dimethylhepta-2,4-diene-3-sulfinamide is C/C=C(\C=C/CC)S(=O)N(C)C.
What is the InChIKey of (2E,4Z)-N,N-dimethylhepta-2,4-diene-3-sulfinamide?
The InChIKey is HPIGRUHHTCHCEL-SOKJVCRVSA-N. The full InChI is InChI=1S/C9H17NOS/c1-5-7-8-9(6-2)12(11)10(3)4/h6-8H,5H2,1-4H3/b8-7-,9-6+.
What are the key properties of (2E,4Z)-N,N-dimethylhepta-2,4-diene-3-sulfinamide?
(2E,4Z)-N,N-dimethylhepta-2,4-diene-3-sulfinamide has a molecular weight of 187.31 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N,N-dimethylhepta-2,4-diene-3-sulfinamide is sourced from PubChem (CID 143296475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).