bis((3R)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide);bis((3S)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide)

C44H84N4O8S4 — CID 158584641

IUPACbis((3R)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide);bis((3S)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide)
SMILESC=CC[C@@H](C)C(CC1CCC1)S(N)(=O)=O.C=CC[C@@H](C)C(CC1CCC1)S(N)(=O)=O.C=CC[C@H](C)C(CC1CCC1)S(N)(=O)=O.C=CC[C@H](C)C(CC1CCC1)S(N)(=O)=O
InChIInChI=1S/4C11H21NO2S/c4*1-3-5-9(2)11(15(12,13)14)8-10-6-4-7-10/h4*3,9-11H,1,4-8H2,2H3,(H2,12,13,14)/t4*9-,11?/m1100/s1
InChIKeyHTRGOWVUXZSDMV-YZYICFPKSA-N
MW925.44 g/mol
LogP8.18
Rot. Bonds24

About bis((3R)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide);bis((3S)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide)

bis((3R)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide);bis((3S)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide) (PubChem CID 158584641) has the molecular formula C44H84N4O8S4 and a molecular weight of 925.44 g/mol. Its IUPAC name is bis((3R)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide);bis((3S)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide).

Molecular Properties

Compound Namebis((3R)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide);bis((3S)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide)
PubChem CID158584641
Molecular FormulaC44H84N4O8S4
Molecular Weight925.44 g/mol
Exact Mass924.52
IUPAC Namebis((3R)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide);bis((3S)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide)
SMILESC=CC[C@@H](C)C(CC1CCC1)S(N)(=O)=O.C=CC[C@@H](C)C(CC1CCC1)S(N)(=O)=O.C=CC[C@H](C)C(CC1CCC1)S(N)(=O)=O.C=CC[C@H](C)C(CC1CCC1)S(N)(=O)=O
InChIInChI=1S/4C11H21NO2S/c4*1-3-5-9(2)11(15(12,13)14)8-10-6-4-7-10/h4*3,9-11H,1,4-8H2,2H3,(H2,12,13,14)/t4*9-,11?/m1100/s1
InChIKeyHTRGOWVUXZSDMV-YZYICFPKSA-N
XLogP8.18
TPSA240.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.44
LogP ≤ 58.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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 bis((3R)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide);bis((3S)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide)?
The IUPAC name of bis((3R)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide);bis((3S)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide) (CID 158584641) is bis((3R)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide);bis((3S)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide).
What is the SMILES notation for bis((3R)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide);bis((3S)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide)?
The canonical SMILES for bis((3R)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide);bis((3S)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide) is C=CC[C@@H](C)C(CC1CCC1)S(N)(=O)=O.C=CC[C@@H](C)C(CC1CCC1)S(N)(=O)=O.C=CC[C@H](C)C(CC1CCC1)S(N)(=O)=O.C=CC[C@H](C)C(CC1CCC1)S(N)(=O)=O.
What is the InChIKey of bis((3R)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide);bis((3S)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide)?
The InChIKey is HTRGOWVUXZSDMV-YZYICFPKSA-N. The full InChI is InChI=1S/4C11H21NO2S/c4*1-3-5-9(2)11(15(12,13)14)8-10-6-4-7-10/h4*3,9-11H,1,4-8H2,2H3,(H2,12,13,14)/t4*9-,11?/m1100/s1.
What are the key properties of bis((3R)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide);bis((3S)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide)?
bis((3R)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide);bis((3S)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide) has a molecular weight of 925.44 g/mol, XLogP of 8.18, 24 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis((3R)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide);bis((3S)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide) is sourced from PubChem (CID 158584641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).