(R)-N-[[3-(5-chlorothiophen-2-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide

C15H16ClNOS2 — CID 135366544

IUPAC(R)-N-[[3-(5-chlorothiophen-2-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=Cc1cccc(-c2ccc(Cl)s2)c1
InChIInChI=1S/C15H16ClNOS2/c1-15(2,3)20(18)17-10-11-5-4-6-12(9-11)13-7-8-14(16)19-13/h4-10H,1-3H3/t20-/m1/s1
InChIKeyODGBPPAGLWQVOD-HXUWFJFHSA-N
MW325.89 g/mol
LogP4.95
Rot. Bonds3

About (R)-N-[[3-(5-chlorothiophen-2-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide

(R)-N-[[3-(5-chlorothiophen-2-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 135366544) has the molecular formula C15H16ClNOS2 and a molecular weight of 325.89 g/mol. Its IUPAC name is (R)-N-[[3-(5-chlorothiophen-2-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[[3-(5-chlorothiophen-2-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide
PubChem CID135366544
Molecular FormulaC15H16ClNOS2
Molecular Weight325.89 g/mol
Exact Mass325.04
IUPAC Name(R)-N-[[3-(5-chlorothiophen-2-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=Cc1cccc(-c2ccc(Cl)s2)c1
InChIInChI=1S/C15H16ClNOS2/c1-15(2,3)20(18)17-10-11-5-4-6-12(9-11)13-7-8-14(16)19-13/h4-10H,1-3H3/t20-/m1/s1
InChIKeyODGBPPAGLWQVOD-HXUWFJFHSA-N
XLogP4.95
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.89
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(NE,R)-2-methyl-N-[(3-methylphenyl)methylidene]propane-2-sulfinamide
CID 155662866
(NE,R)-N-[(3-iodophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 176889509
(NE,R)-N-[(3-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 87105645
(R)-N-[(3,4-dichlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 67122775
(R)-2-methyl-N-[[3-(4-methylphenoxy)phenyl]methylidene]propane-2-sulfinamide
CID 135366756
(R)-N-[(3-chloro-4-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 98010149
(R)-N-[(4-chloro-3-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 71033001
(R)-N-[(4-bromo-3-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167530704
(NE,R)-N-[(3-bromo-4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 163337433
(NE,R)-2-methyl-N-[[3-(3-methylphenoxy)phenyl]methylidene]propane-2-sulfinamide
CID 135367476
2-methyl-N-[[3-[3-(methyliminomethyl)phenyl]-2-pyridinyl]methylidene]propane-2-sulfinamide
CID 123888060
(NE)-N-[[3-(difluoromethoxy)phenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 139428074

Frequently Asked Questions

What is the IUPAC name of (R)-N-[[3-(5-chlorothiophen-2-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[[3-(5-chlorothiophen-2-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide (CID 135366544) is (R)-N-[[3-(5-chlorothiophen-2-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[[3-(5-chlorothiophen-2-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[[3-(5-chlorothiophen-2-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N=Cc1cccc(-c2ccc(Cl)s2)c1.
What is the InChIKey of (R)-N-[[3-(5-chlorothiophen-2-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is ODGBPPAGLWQVOD-HXUWFJFHSA-N. The full InChI is InChI=1S/C15H16ClNOS2/c1-15(2,3)20(18)17-10-11-5-4-6-12(9-11)13-7-8-14(16)19-13/h4-10H,1-3H3/t20-/m1/s1.
What are the key properties of (R)-N-[[3-(5-chlorothiophen-2-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide?
(R)-N-[[3-(5-chlorothiophen-2-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 325.89 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[[3-(5-chlorothiophen-2-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 135366544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).