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

C9H19NO3S — CID 130367305

IUPAC(2S,3S)-1-ethoxy-3-methylhex-5-ene-2-sulfonamide
SMILESC=CC[C@H](C)[C@@H](COCC)S(N)(=O)=O
InChIInChI=1S/C9H19NO3S/c1-4-6-8(3)9(7-13-5-2)14(10,11)12/h4,8-9H,1,5-7H2,2-3H3,(H2,10,11,12)/t8-,9+/m0/s1
InChIKeyCSBYAAMGHKKKSK-DTWKUNHWSA-N
MW221.32 g/mol
LogP0.89
Rot. Bonds7

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

(2S,3S)-1-ethoxy-3-methylhex-5-ene-2-sulfonamide (PubChem CID 130367305) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is (2S,3S)-1-ethoxy-3-methylhex-5-ene-2-sulfonamide.

Molecular Properties

Compound Name(2S,3S)-1-ethoxy-3-methylhex-5-ene-2-sulfonamide
PubChem CID130367305
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name(2S,3S)-1-ethoxy-3-methylhex-5-ene-2-sulfonamide
SMILESC=CC[C@H](C)[C@@H](COCC)S(N)(=O)=O
InChIInChI=1S/C9H19NO3S/c1-4-6-8(3)9(7-13-5-2)14(10,11)12/h4,8-9H,1,5-7H2,2-3H3,(H2,10,11,12)/t8-,9+/m0/s1
InChIKeyCSBYAAMGHKKKSK-DTWKUNHWSA-N
XLogP0.89
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-1-methoxy-3-methylhex-5-ene-2-sulfonamide
CID 138668280
(4R,5R)-5-methyloct-7-ene-4-sulfonamide
CID 118903706
2-methylhex-5-ene-3-sulfonamide
CID 130367234
(2R,3R)-1-cyclopropyl-3-methylhex-5-ene-2-sulfonamide
CID 118910236
(2R,3S)-1-cyclopropyl-3-methylhex-5-ene-2-sulfonamide
CID 118910244
bis((3R)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide);bis((3S)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide)
CID 158584641
(3R,4S)-2,4-dimethylhept-6-ene-3-sulfonamide
CID 118903407
9-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methyl]-4-methylnon-1-ene-5-sulfonamide
CID 172862404
hex-5-ene-3-sulfonamide
CID 118903567
(1R,2R)-1-cyclobutyl-2-methylpent-4-ene-1-sulfonamide
CID 118910299
(2R,3R)-3-hydroxyhex-5-ene-2-sulfonamide
CID 130367158
(2R,3R)-3-ethenylhex-5-ene-2-sulfonamide
CID 166830456

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-ethoxy-3-methylhex-5-ene-2-sulfonamide?
The IUPAC name of (2S,3S)-1-ethoxy-3-methylhex-5-ene-2-sulfonamide (CID 130367305) is (2S,3S)-1-ethoxy-3-methylhex-5-ene-2-sulfonamide.
What is the SMILES notation for (2S,3S)-1-ethoxy-3-methylhex-5-ene-2-sulfonamide?
The canonical SMILES for (2S,3S)-1-ethoxy-3-methylhex-5-ene-2-sulfonamide is C=CC[C@H](C)[C@@H](COCC)S(N)(=O)=O.
What is the InChIKey of (2S,3S)-1-ethoxy-3-methylhex-5-ene-2-sulfonamide?
The InChIKey is CSBYAAMGHKKKSK-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-4-6-8(3)9(7-13-5-2)14(10,11)12/h4,8-9H,1,5-7H2,2-3H3,(H2,10,11,12)/t8-,9+/m0/s1.
What are the key properties of (2S,3S)-1-ethoxy-3-methylhex-5-ene-2-sulfonamide?
(2S,3S)-1-ethoxy-3-methylhex-5-ene-2-sulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-ethoxy-3-methylhex-5-ene-2-sulfonamide is sourced from PubChem (CID 130367305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).