(NZ,R)-N-[1-(4-bromothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide

C10H14BrNOS2 — CID 59764141

IUPAC(NZ,R)-N-[1-(4-bromothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(=N/[S@](=O)C(C)(C)C)c1cc(Br)cs1
InChIInChI=1S/C10H14BrNOS2/c1-7(9-5-8(11)6-14-9)12-15(13)10(2,3)4/h5-6H,1-4H3/b12-7-/t15-/m1/s1
InChIKeyWTQPLQZJNABROQ-WASHYIJTSA-N
MW308.27 g/mol
LogP3.78
Rot. Bonds2

About (NZ,R)-N-[1-(4-bromothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide

(NZ,R)-N-[1-(4-bromothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 59764141) has the molecular formula C10H14BrNOS2 and a molecular weight of 308.27 g/mol. Its IUPAC name is (NZ,R)-N-[1-(4-bromothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NZ,R)-N-[1-(4-bromothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID59764141
Molecular FormulaC10H14BrNOS2
Molecular Weight308.27 g/mol
Exact Mass306.97
IUPAC Name(NZ,R)-N-[1-(4-bromothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(=N/[S@](=O)C(C)(C)C)c1cc(Br)cs1
InChIInChI=1S/C10H14BrNOS2/c1-7(9-5-8(11)6-14-9)12-15(13)10(2,3)4/h5-6H,1-4H3/b12-7-/t15-/m1/s1
InChIKeyWTQPLQZJNABROQ-WASHYIJTSA-N
XLogP3.78
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ,R)-N-[1-(4-bromothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NZ,R)-N-[1-(4-bromothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide (CID 59764141) is (NZ,R)-N-[1-(4-bromothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NZ,R)-N-[1-(4-bromothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NZ,R)-N-[1-(4-bromothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide is C/C(=N/[S@](=O)C(C)(C)C)c1cc(Br)cs1.
What is the InChIKey of (NZ,R)-N-[1-(4-bromothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is WTQPLQZJNABROQ-WASHYIJTSA-N. The full InChI is InChI=1S/C10H14BrNOS2/c1-7(9-5-8(11)6-14-9)12-15(13)10(2,3)4/h5-6H,1-4H3/b12-7-/t15-/m1/s1.
What are the key properties of (NZ,R)-N-[1-(4-bromothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide?
(NZ,R)-N-[1-(4-bromothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 308.27 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ,R)-N-[1-(4-bromothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 59764141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).