2-methylbut-3-en-2-yl-[(1-methylcyclopentyl)amino]-oxidosulfanium

C11H21NOS — CID 175492445

IUPAC2-methylbut-3-en-2-yl-[(1-methylcyclopentyl)amino]-oxidosulfanium
SMILESC=CC(C)(C)[S+]([O-])NC1(C)CCCC1
InChIInChI=1S/C11H21NOS/c1-5-10(2,3)14(13)12-11(4)8-6-7-9-11/h5,12H,1,6-9H2,2-4H3
InChIKeyUJDQGIXASNGKIX-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.54
Rot. Bonds4

About 2-methylbut-3-en-2-yl-[(1-methylcyclopentyl)amino]-oxidosulfanium

2-methylbut-3-en-2-yl-[(1-methylcyclopentyl)amino]-oxidosulfanium (PubChem CID 175492445) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 2-methylbut-3-en-2-yl-[(1-methylcyclopentyl)amino]-oxidosulfanium.

Molecular Properties

Compound Name2-methylbut-3-en-2-yl-[(1-methylcyclopentyl)amino]-oxidosulfanium
PubChem CID175492445
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name2-methylbut-3-en-2-yl-[(1-methylcyclopentyl)amino]-oxidosulfanium
SMILESC=CC(C)(C)[S+]([O-])NC1(C)CCCC1
InChIInChI=1S/C11H21NOS/c1-5-10(2,3)14(13)12-11(4)8-6-7-9-11/h5,12H,1,6-9H2,2-4H3
InChIKeyUJDQGIXASNGKIX-UHFFFAOYSA-N
XLogP2.54
TPSA35.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(S)-N-[(4R)-4,6-dimethylhept-1-en-4-yl]-2-methylpropane-2-sulfinamide
CID 134965670
(R)-2-methyl-N-[(4R)-4-methyloct-1-en-4-yl]propane-2-sulfinamide
CID 146474161
2-methyl-N-(1-prop-2-enylcyclopentyl)propane-2-sulfinamide
CID 170428853
Tert-butyl-(4-methyloct-1-en-4-ylamino)-oxidosulfanium
CID 173848232
tert-butyl-[[(4R)-4-methyloct-1-en-4-yl]amino]-oxidosulfanium
CID 173851723
N-(4,6-dimethylhept-1-en-4-yl)-2-methylpropane-2-sulfinamide
CID 102107436

Frequently Asked Questions

What is the IUPAC name of 2-methylbut-3-en-2-yl-[(1-methylcyclopentyl)amino]-oxidosulfanium?
The IUPAC name of 2-methylbut-3-en-2-yl-[(1-methylcyclopentyl)amino]-oxidosulfanium (CID 175492445) is 2-methylbut-3-en-2-yl-[(1-methylcyclopentyl)amino]-oxidosulfanium.
What is the SMILES notation for 2-methylbut-3-en-2-yl-[(1-methylcyclopentyl)amino]-oxidosulfanium?
The canonical SMILES for 2-methylbut-3-en-2-yl-[(1-methylcyclopentyl)amino]-oxidosulfanium is C=CC(C)(C)[S+]([O-])NC1(C)CCCC1.
What is the InChIKey of 2-methylbut-3-en-2-yl-[(1-methylcyclopentyl)amino]-oxidosulfanium?
The InChIKey is UJDQGIXASNGKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-5-10(2,3)14(13)12-11(4)8-6-7-9-11/h5,12H,1,6-9H2,2-4H3.
What are the key properties of 2-methylbut-3-en-2-yl-[(1-methylcyclopentyl)amino]-oxidosulfanium?
2-methylbut-3-en-2-yl-[(1-methylcyclopentyl)amino]-oxidosulfanium has a molecular weight of 215.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbut-3-en-2-yl-[(1-methylcyclopentyl)amino]-oxidosulfanium is sourced from PubChem (CID 175492445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).