(2R,3S)-3-methylhex-5-ene-2-sulfonamide;piperazine

C11H25N3O2S — CID 175937051

IUPAC(2R,3S)-3-methylhex-5-ene-2-sulfonamide;piperazine
SMILESC1CNCCN1.C=CC[C@H](C)[C@@H](C)S(N)(=O)=O
InChIInChI=1S/C7H15NO2S.C4H10N2/c1-4-5-6(2)7(3)11(8,9)10;1-2-6-4-3-5-1/h4,6-7H,1,5H2,2-3H3,(H2,8,9,10);5-6H,1-4H2/t6-,7+;/m0./s1
InChIKeyWLSYDLMZFUVTBO-UOERWJHTSA-N
MW263.41 g/mol
LogP0.05
Rot. Bonds4

About (2R,3S)-3-methylhex-5-ene-2-sulfonamide;piperazine

(2R,3S)-3-methylhex-5-ene-2-sulfonamide;piperazine (PubChem CID 175937051) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is (2R,3S)-3-methylhex-5-ene-2-sulfonamide;piperazine.

Molecular Properties

Compound Name(2R,3S)-3-methylhex-5-ene-2-sulfonamide;piperazine
PubChem CID175937051
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name(2R,3S)-3-methylhex-5-ene-2-sulfonamide;piperazine
SMILESC1CNCCN1.C=CC[C@H](C)[C@@H](C)S(N)(=O)=O
InChIInChI=1S/C7H15NO2S.C4H10N2/c1-4-5-6(2)7(3)11(8,9)10;1-2-6-4-3-5-1/h4,6-7H,1,5H2,2-3H3,(H2,8,9,10);5-6H,1-4H2/t6-,7+;/m0./s1
InChIKeyWLSYDLMZFUVTBO-UOERWJHTSA-N
XLogP0.05
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 (2R,3S)-3-methylhex-5-ene-2-sulfonamide;piperazine?
The IUPAC name of (2R,3S)-3-methylhex-5-ene-2-sulfonamide;piperazine (CID 175937051) is (2R,3S)-3-methylhex-5-ene-2-sulfonamide;piperazine.
What is the SMILES notation for (2R,3S)-3-methylhex-5-ene-2-sulfonamide;piperazine?
The canonical SMILES for (2R,3S)-3-methylhex-5-ene-2-sulfonamide;piperazine is C1CNCCN1.C=CC[C@H](C)[C@@H](C)S(N)(=O)=O.
What is the InChIKey of (2R,3S)-3-methylhex-5-ene-2-sulfonamide;piperazine?
The InChIKey is WLSYDLMZFUVTBO-UOERWJHTSA-N. The full InChI is InChI=1S/C7H15NO2S.C4H10N2/c1-4-5-6(2)7(3)11(8,9)10;1-2-6-4-3-5-1/h4,6-7H,1,5H2,2-3H3,(H2,8,9,10);5-6H,1-4H2/t6-,7+;/m0./s1.
What are the key properties of (2R,3S)-3-methylhex-5-ene-2-sulfonamide;piperazine?
(2R,3S)-3-methylhex-5-ene-2-sulfonamide;piperazine has a molecular weight of 263.41 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methylhex-5-ene-2-sulfonamide;piperazine is sourced from PubChem (CID 175937051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).