(2S,3S)-1-methoxy-3-methylhex-5-ene-2-sulfonamide

C8H17NO3S — CID 138668280

IUPAC(2S,3S)-1-methoxy-3-methylhex-5-ene-2-sulfonamide
SMILESC=CC[C@H](C)[C@@H](COC)S(N)(=O)=O
InChIInChI=1S/C8H17NO3S/c1-4-5-7(2)8(6-12-3)13(9,10)11/h4,7-8H,1,5-6H2,2-3H3,(H2,9,10,11)/t7-,8+/m0/s1
InChIKeySOVUVEXZRHTHCS-JGVFFNPUSA-N
MW207.29 g/mol
LogP0.50
Rot. Bonds6

About (2S,3S)-1-methoxy-3-methylhex-5-ene-2-sulfonamide

(2S,3S)-1-methoxy-3-methylhex-5-ene-2-sulfonamide (PubChem CID 138668280) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is (2S,3S)-1-methoxy-3-methylhex-5-ene-2-sulfonamide.

Molecular Properties

Compound Name(2S,3S)-1-methoxy-3-methylhex-5-ene-2-sulfonamide
PubChem CID138668280
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name(2S,3S)-1-methoxy-3-methylhex-5-ene-2-sulfonamide
SMILESC=CC[C@H](C)[C@@H](COC)S(N)(=O)=O
InChIInChI=1S/C8H17NO3S/c1-4-5-7(2)8(6-12-3)13(9,10)11/h4,7-8H,1,5-6H2,2-3H3,(H2,9,10,11)/t7-,8+/m0/s1
InChIKeySOVUVEXZRHTHCS-JGVFFNPUSA-N
XLogP0.50
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2S,3S)-1-methoxy-3-methylhex-5-ene-2-sulfonamide?
The IUPAC name of (2S,3S)-1-methoxy-3-methylhex-5-ene-2-sulfonamide (CID 138668280) is (2S,3S)-1-methoxy-3-methylhex-5-ene-2-sulfonamide.
What is the SMILES notation for (2S,3S)-1-methoxy-3-methylhex-5-ene-2-sulfonamide?
The canonical SMILES for (2S,3S)-1-methoxy-3-methylhex-5-ene-2-sulfonamide is C=CC[C@H](C)[C@@H](COC)S(N)(=O)=O.
What is the InChIKey of (2S,3S)-1-methoxy-3-methylhex-5-ene-2-sulfonamide?
The InChIKey is SOVUVEXZRHTHCS-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-4-5-7(2)8(6-12-3)13(9,10)11/h4,7-8H,1,5-6H2,2-3H3,(H2,9,10,11)/t7-,8+/m0/s1.
What are the key properties of (2S,3S)-1-methoxy-3-methylhex-5-ene-2-sulfonamide?
(2S,3S)-1-methoxy-3-methylhex-5-ene-2-sulfonamide has a molecular weight of 207.29 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-methoxy-3-methylhex-5-ene-2-sulfonamide is sourced from PubChem (CID 138668280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).