(3E)-N-butylhexa-1,3,5-triene-3-sulfonamide;molecular hydrogen

C10H19NO2S — CID 170766238

IUPAC(3E)-N-butylhexa-1,3,5-triene-3-sulfonamide;molecular hydrogen
SMILESC=C/C=C(\C=C)S(=O)(=O)NCCCC.[H][H]
InChIInChI=1S/C10H17NO2S.H2/c1-4-7-9-11-14(12,13)10(6-3)8-5-2;/h5-6,8,11H,2-4,7,9H2,1H3;1H/b10-8+;
InChIKeySTMQAJJGOHZKIN-VRTOBVRTSA-N
MW217.33 g/mol
LogP2.21
Rot. Bonds7

About (3E)-N-butylhexa-1,3,5-triene-3-sulfonamide;molecular hydrogen

(3E)-N-butylhexa-1,3,5-triene-3-sulfonamide;molecular hydrogen (PubChem CID 170766238) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is (3E)-N-butylhexa-1,3,5-triene-3-sulfonamide;molecular hydrogen.

Molecular Properties

Compound Name(3E)-N-butylhexa-1,3,5-triene-3-sulfonamide;molecular hydrogen
PubChem CID170766238
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name(3E)-N-butylhexa-1,3,5-triene-3-sulfonamide;molecular hydrogen
SMILESC=C/C=C(\C=C)S(=O)(=O)NCCCC.[H][H]
InChIInChI=1S/C10H17NO2S.H2/c1-4-7-9-11-14(12,13)10(6-3)8-5-2;/h5-6,8,11H,2-4,7,9H2,1H3;1H/b10-8+;
InChIKeySTMQAJJGOHZKIN-VRTOBVRTSA-N
XLogP2.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-N-butylhexa-1,3,5-triene-3-sulfonamide;molecular hydrogen?
The IUPAC name of (3E)-N-butylhexa-1,3,5-triene-3-sulfonamide;molecular hydrogen (CID 170766238) is (3E)-N-butylhexa-1,3,5-triene-3-sulfonamide;molecular hydrogen.
What is the SMILES notation for (3E)-N-butylhexa-1,3,5-triene-3-sulfonamide;molecular hydrogen?
The canonical SMILES for (3E)-N-butylhexa-1,3,5-triene-3-sulfonamide;molecular hydrogen is C=C/C=C(\C=C)S(=O)(=O)NCCCC.[H][H].
What is the InChIKey of (3E)-N-butylhexa-1,3,5-triene-3-sulfonamide;molecular hydrogen?
The InChIKey is STMQAJJGOHZKIN-VRTOBVRTSA-N. The full InChI is InChI=1S/C10H17NO2S.H2/c1-4-7-9-11-14(12,13)10(6-3)8-5-2;/h5-6,8,11H,2-4,7,9H2,1H3;1H/b10-8+;.
What are the key properties of (3E)-N-butylhexa-1,3,5-triene-3-sulfonamide;molecular hydrogen?
(3E)-N-butylhexa-1,3,5-triene-3-sulfonamide;molecular hydrogen has a molecular weight of 217.33 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-butylhexa-1,3,5-triene-3-sulfonamide;molecular hydrogen is sourced from PubChem (CID 170766238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).