(2R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methoxypropane-1-sulfonamide

C13H24N2O3S2 — CID 99843487

IUPAC(2R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methoxypropane-1-sulfonamide
SMILESCO[C@H](C)CS(=O)(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C13H24N2O3S2/c1-9(18-6)8-20(16,17)15-10(2)12-14-11(7-19-12)13(3,4)5/h7,9-10,15H,8H2,1-6H3/t9-,10+/m1/s1
InChIKeySWVNOVCPYXGDJT-ZJUUUORDSA-N
MW320.48 g/mol
LogP2.46
Rot. Bonds6

About (2R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methoxypropane-1-sulfonamide

(2R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methoxypropane-1-sulfonamide (PubChem CID 99843487) has the molecular formula C13H24N2O3S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methoxypropane-1-sulfonamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methoxypropane-1-sulfonamide
PubChem CID99843487
Molecular FormulaC13H24N2O3S2
Molecular Weight320.48 g/mol
Exact Mass320.12
IUPAC Name(2R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methoxypropane-1-sulfonamide
SMILESCO[C@H](C)CS(=O)(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C13H24N2O3S2/c1-9(18-6)8-20(16,17)15-10(2)12-14-11(7-19-12)13(3,4)5/h7,9-10,15H,8H2,1-6H3/t9-,10+/m1/s1
InChIKeySWVNOVCPYXGDJT-ZJUUUORDSA-N
XLogP2.46
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methoxypropane-1-sulfonamide?
The IUPAC name of (2R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methoxypropane-1-sulfonamide (CID 99843487) is (2R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methoxypropane-1-sulfonamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methoxypropane-1-sulfonamide?
The canonical SMILES for (2R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methoxypropane-1-sulfonamide is CO[C@H](C)CS(=O)(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1.
What is the InChIKey of (2R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methoxypropane-1-sulfonamide?
The InChIKey is SWVNOVCPYXGDJT-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H24N2O3S2/c1-9(18-6)8-20(16,17)15-10(2)12-14-11(7-19-12)13(3,4)5/h7,9-10,15H,8H2,1-6H3/t9-,10+/m1/s1.
What are the key properties of (2R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methoxypropane-1-sulfonamide?
(2R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methoxypropane-1-sulfonamide has a molecular weight of 320.48 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methoxypropane-1-sulfonamide is sourced from PubChem (CID 99843487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).