(R)-4-(5-chloro-1,3-thiazol-2-yl)-2-methylpentane-2-sulfinamide

C9H15ClN2OS2 — CID 170943434

IUPAC(R)-4-(5-chloro-1,3-thiazol-2-yl)-2-methylpentane-2-sulfinamide
SMILESCC(CC(C)(C)[S@](N)=O)c1ncc(Cl)s1
InChIInChI=1S/C9H15ClN2OS2/c1-6(4-9(2,3)15(11)13)8-12-5-7(10)14-8/h5-6H,4,11H2,1-3H3/t6?,15-/m1/s1
InChIKeyZWGBKYFFEZVRKK-CBRWWVBESA-N
MW266.82 g/mol
LogP2.69
Rot. Bonds4

About (R)-4-(5-chloro-1,3-thiazol-2-yl)-2-methylpentane-2-sulfinamide

(R)-4-(5-chloro-1,3-thiazol-2-yl)-2-methylpentane-2-sulfinamide (PubChem CID 170943434) has the molecular formula C9H15ClN2OS2 and a molecular weight of 266.82 g/mol. Its IUPAC name is (R)-4-(5-chloro-1,3-thiazol-2-yl)-2-methylpentane-2-sulfinamide.

Molecular Properties

Compound Name(R)-4-(5-chloro-1,3-thiazol-2-yl)-2-methylpentane-2-sulfinamide
PubChem CID170943434
Molecular FormulaC9H15ClN2OS2
Molecular Weight266.82 g/mol
Exact Mass266.03
IUPAC Name(R)-4-(5-chloro-1,3-thiazol-2-yl)-2-methylpentane-2-sulfinamide
SMILESCC(CC(C)(C)[S@](N)=O)c1ncc(Cl)s1
InChIInChI=1S/C9H15ClN2OS2/c1-6(4-9(2,3)15(11)13)8-12-5-7(10)14-8/h5-6H,4,11H2,1-3H3/t6?,15-/m1/s1
InChIKeyZWGBKYFFEZVRKK-CBRWWVBESA-N
XLogP2.69
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (R)-4-(5-chloro-1,3-thiazol-2-yl)-2-methylpentane-2-sulfinamide?
The IUPAC name of (R)-4-(5-chloro-1,3-thiazol-2-yl)-2-methylpentane-2-sulfinamide (CID 170943434) is (R)-4-(5-chloro-1,3-thiazol-2-yl)-2-methylpentane-2-sulfinamide.
What is the SMILES notation for (R)-4-(5-chloro-1,3-thiazol-2-yl)-2-methylpentane-2-sulfinamide?
The canonical SMILES for (R)-4-(5-chloro-1,3-thiazol-2-yl)-2-methylpentane-2-sulfinamide is CC(CC(C)(C)[S@](N)=O)c1ncc(Cl)s1.
What is the InChIKey of (R)-4-(5-chloro-1,3-thiazol-2-yl)-2-methylpentane-2-sulfinamide?
The InChIKey is ZWGBKYFFEZVRKK-CBRWWVBESA-N. The full InChI is InChI=1S/C9H15ClN2OS2/c1-6(4-9(2,3)15(11)13)8-12-5-7(10)14-8/h5-6H,4,11H2,1-3H3/t6?,15-/m1/s1.
What are the key properties of (R)-4-(5-chloro-1,3-thiazol-2-yl)-2-methylpentane-2-sulfinamide?
(R)-4-(5-chloro-1,3-thiazol-2-yl)-2-methylpentane-2-sulfinamide has a molecular weight of 266.82 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-4-(5-chloro-1,3-thiazol-2-yl)-2-methylpentane-2-sulfinamide is sourced from PubChem (CID 170943434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).