(1R,2R)-1-cyclobutyl-2-methylpent-4-ene-1-sulfonamide

C10H19NO2S — CID 118910299

IUPAC(1R,2R)-1-cyclobutyl-2-methylpent-4-ene-1-sulfonamide
SMILESC=CC[C@@H](C)[C@H](C1CCC1)S(N)(=O)=O
InChIInChI=1S/C10H19NO2S/c1-3-5-8(2)10(14(11,12)13)9-6-4-7-9/h3,8-10H,1,4-7H2,2H3,(H2,11,12,13)/t8-,10-/m1/s1
InChIKeyUDYWEMDXYMAQED-PSASIEDQSA-N
MW217.33 g/mol
LogP1.66
Rot. Bonds5

About (1R,2R)-1-cyclobutyl-2-methylpent-4-ene-1-sulfonamide

(1R,2R)-1-cyclobutyl-2-methylpent-4-ene-1-sulfonamide (PubChem CID 118910299) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is (1R,2R)-1-cyclobutyl-2-methylpent-4-ene-1-sulfonamide.

Molecular Properties

Compound Name(1R,2R)-1-cyclobutyl-2-methylpent-4-ene-1-sulfonamide
PubChem CID118910299
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name(1R,2R)-1-cyclobutyl-2-methylpent-4-ene-1-sulfonamide
SMILESC=CC[C@@H](C)[C@H](C1CCC1)S(N)(=O)=O
InChIInChI=1S/C10H19NO2S/c1-3-5-8(2)10(14(11,12)13)9-6-4-7-9/h3,8-10H,1,4-7H2,2H3,(H2,11,12,13)/t8-,10-/m1/s1
InChIKeyUDYWEMDXYMAQED-PSASIEDQSA-N
XLogP1.66
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

bis((3R)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide);bis((3S)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide)
CID 158584641
(2R,3R)-1-cyclopropyl-3-methylhex-5-ene-2-sulfonamide
CID 118910236
(2R,3S)-1-cyclopropyl-3-methylhex-5-ene-2-sulfonamide
CID 118910244
S-[(2S)-1-cyclobutyl-2-methylpent-4-enyl]thiohydroxylamine
CID 146361058
(3R,4S)-2,4-dimethylhept-6-ene-3-sulfonamide
CID 118903407
(4R,5R)-5-methyloct-7-ene-4-sulfonamide
CID 118903706
2-methylhex-5-ene-3-sulfonamide
CID 130367234
1-(3-methylhex-5-en-2-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide
CID 75520129
(2S,3S)-1-methoxy-3-methylhex-5-ene-2-sulfonamide
CID 138668280
1-cyclobutylpropane-1-sulfonamide
CID 130655197
(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 (1R,2R)-1-cyclobutyl-2-methylpent-4-ene-1-sulfonamide?
The IUPAC name of (1R,2R)-1-cyclobutyl-2-methylpent-4-ene-1-sulfonamide (CID 118910299) is (1R,2R)-1-cyclobutyl-2-methylpent-4-ene-1-sulfonamide.
What is the SMILES notation for (1R,2R)-1-cyclobutyl-2-methylpent-4-ene-1-sulfonamide?
The canonical SMILES for (1R,2R)-1-cyclobutyl-2-methylpent-4-ene-1-sulfonamide is C=CC[C@@H](C)[C@H](C1CCC1)S(N)(=O)=O.
What is the InChIKey of (1R,2R)-1-cyclobutyl-2-methylpent-4-ene-1-sulfonamide?
The InChIKey is UDYWEMDXYMAQED-PSASIEDQSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-3-5-8(2)10(14(11,12)13)9-6-4-7-9/h3,8-10H,1,4-7H2,2H3,(H2,11,12,13)/t8-,10-/m1/s1.
What are the key properties of (1R,2R)-1-cyclobutyl-2-methylpent-4-ene-1-sulfonamide?
(1R,2R)-1-cyclobutyl-2-methylpent-4-ene-1-sulfonamide has a molecular weight of 217.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-cyclobutyl-2-methylpent-4-ene-1-sulfonamide is sourced from PubChem (CID 118910299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).