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

C10H19NO2S — CID 118910244

IUPAC(2R,3S)-1-cyclopropyl-3-methylhex-5-ene-2-sulfonamide
SMILESC=CC[C@H](C)[C@@H](CC1CC1)S(N)(=O)=O
InChIInChI=1S/C10H19NO2S/c1-3-4-8(2)10(14(11,12)13)7-9-5-6-9/h3,8-10H,1,4-7H2,2H3,(H2,11,12,13)/t8-,10+/m0/s1
InChIKeyCMLGSLCCBSIYQR-WCBMZHEXSA-N
MW217.33 g/mol
LogP1.66
Rot. Bonds6

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

(2R,3S)-1-cyclopropyl-3-methylhex-5-ene-2-sulfonamide (PubChem CID 118910244) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is (2R,3S)-1-cyclopropyl-3-methylhex-5-ene-2-sulfonamide.

Molecular Properties

Compound Name(2R,3S)-1-cyclopropyl-3-methylhex-5-ene-2-sulfonamide
PubChem CID118910244
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name(2R,3S)-1-cyclopropyl-3-methylhex-5-ene-2-sulfonamide
SMILESC=CC[C@H](C)[C@@H](CC1CC1)S(N)(=O)=O
InChIInChI=1S/C10H19NO2S/c1-3-4-8(2)10(14(11,12)13)7-9-5-6-9/h3,8-10H,1,4-7H2,2H3,(H2,11,12,13)/t8-,10+/m0/s1
InChIKeyCMLGSLCCBSIYQR-WCBMZHEXSA-N
XLogP1.66
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-1-cyclopropyl-3-methylhex-5-ene-2-sulfonamide?
The IUPAC name of (2R,3S)-1-cyclopropyl-3-methylhex-5-ene-2-sulfonamide (CID 118910244) is (2R,3S)-1-cyclopropyl-3-methylhex-5-ene-2-sulfonamide.
What is the SMILES notation for (2R,3S)-1-cyclopropyl-3-methylhex-5-ene-2-sulfonamide?
The canonical SMILES for (2R,3S)-1-cyclopropyl-3-methylhex-5-ene-2-sulfonamide is C=CC[C@H](C)[C@@H](CC1CC1)S(N)(=O)=O.
What is the InChIKey of (2R,3S)-1-cyclopropyl-3-methylhex-5-ene-2-sulfonamide?
The InChIKey is CMLGSLCCBSIYQR-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-3-4-8(2)10(14(11,12)13)7-9-5-6-9/h3,8-10H,1,4-7H2,2H3,(H2,11,12,13)/t8-,10+/m0/s1.
What are the key properties of (2R,3S)-1-cyclopropyl-3-methylhex-5-ene-2-sulfonamide?
(2R,3S)-1-cyclopropyl-3-methylhex-5-ene-2-sulfonamide has a molecular weight of 217.33 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-cyclopropyl-3-methylhex-5-ene-2-sulfonamide is sourced from PubChem (CID 118910244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).