N-[2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethyl]-2-methylpropane-2-sulfinamide

C9H14Cl2N2OS2 — CID 135345940

IUPACN-[2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(CCl)c1cnc(Cl)s1
InChIInChI=1S/C9H14Cl2N2OS2/c1-9(2,3)16(14)13-6(4-10)7-5-12-8(11)15-7/h5-6,13H,4H2,1-3H3
InChIKeyVBZPEIAVOLNPLG-UHFFFAOYSA-N
MW301.26 g/mol
LogP3.13
Rot. Bonds4

About N-[2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethyl]-2-methylpropane-2-sulfinamide

N-[2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 135345940) has the molecular formula C9H14Cl2N2OS2 and a molecular weight of 301.26 g/mol. Its IUPAC name is N-[2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID135345940
Molecular FormulaC9H14Cl2N2OS2
Molecular Weight301.26 g/mol
Exact Mass299.99
IUPAC NameN-[2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(CCl)c1cnc(Cl)s1
InChIInChI=1S/C9H14Cl2N2OS2/c1-9(2,3)16(14)13-6(4-10)7-5-12-8(11)15-7/h5-6,13H,4H2,1-3H3
InChIKeyVBZPEIAVOLNPLG-UHFFFAOYSA-N
XLogP3.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethyl]-2-methylpropane-2-sulfinamide (CID 135345940) is N-[2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NC(CCl)c1cnc(Cl)s1.
What is the InChIKey of N-[2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is VBZPEIAVOLNPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2N2OS2/c1-9(2,3)16(14)13-6(4-10)7-5-12-8(11)15-7/h5-6,13H,4H2,1-3H3.
What are the key properties of N-[2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethyl]-2-methylpropane-2-sulfinamide?
N-[2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 301.26 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 135345940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).