(2R)-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide

C11H18N2O3S2 — CID 99803435

IUPAC(2R)-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide
SMILESCO[C@H](C)CS(=O)(=O)N[C@H](c1nccs1)C1CC1
InChIInChI=1S/C11H18N2O3S2/c1-8(16-2)7-18(14,15)13-10(9-3-4-9)11-12-5-6-17-11/h5-6,8-10,13H,3-4,7H2,1-2H3/t8-,10+/m1/s1
InChIKeyMXSIAPRZVGTZSP-SCZZXKLOSA-N
MW290.41 g/mol
LogP1.55
Rot. Bonds7

About (2R)-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide

(2R)-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide (PubChem CID 99803435) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2R)-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide.

Molecular Properties

Compound Name(2R)-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide
PubChem CID99803435
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC Name(2R)-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide
SMILESCO[C@H](C)CS(=O)(=O)N[C@H](c1nccs1)C1CC1
InChIInChI=1S/C11H18N2O3S2/c1-8(16-2)7-18(14,15)13-10(9-3-4-9)11-12-5-6-17-11/h5-6,8-10,13H,3-4,7H2,1-2H3/t8-,10+/m1/s1
InChIKeyMXSIAPRZVGTZSP-SCZZXKLOSA-N
XLogP1.55
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[cyclopropyl(1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 115724090
3-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]propane-1-sulfonamide
CID 79585893
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]cyclopentanamine
CID 115724082
2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]amino]ethanol
CID 46785170
N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 95968029
2-[(2S)-1-[(2R)-2-methoxypropyl]sulfonylpiperidin-2-yl]-1,3-thiazole
CID 124743874
(2R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methoxypropane-1-sulfonamide
CID 99843487
methyl (1S)-3-[1-(1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxylate
CID 129231878
N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-2-amine
CID 107133299
2-cyano-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-fluorobenzenesulfonamide
CID 75387225
1-cyclopropyl-3-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-[(2S)-3-methylbutan-2-yl]urea
CID 97048827
N-[cyclopropyl(thiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104584966

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide?
The IUPAC name of (2R)-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide (CID 99803435) is (2R)-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide.
What is the SMILES notation for (2R)-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide?
The canonical SMILES for (2R)-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide is CO[C@H](C)CS(=O)(=O)N[C@H](c1nccs1)C1CC1.
What is the InChIKey of (2R)-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide?
The InChIKey is MXSIAPRZVGTZSP-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c1-8(16-2)7-18(14,15)13-10(9-3-4-9)11-12-5-6-17-11/h5-6,8-10,13H,3-4,7H2,1-2H3/t8-,10+/m1/s1.
What are the key properties of (2R)-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide?
(2R)-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide has a molecular weight of 290.41 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide is sourced from PubChem (CID 99803435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).