N-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide

C15H26N2O3S2 — CID 97089486

IUPACN-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide
SMILESC[C@@H](NS(=O)(=O)CC[C@H]1CCCO1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C15H26N2O3S2/c1-11(14-16-13(10-21-14)15(2,3)4)17-22(18,19)9-7-12-6-5-8-20-12/h10-12,17H,5-9H2,1-4H3/t11-,12-/m1/s1
InChIKeyOFVHESMEDLMEBY-VXGBXAGGSA-N
MW346.52 g/mol
LogP2.99
Rot. Bonds6

About N-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide

N-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide (PubChem CID 97089486) has the molecular formula C15H26N2O3S2 and a molecular weight of 346.52 g/mol. Its IUPAC name is N-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide
PubChem CID97089486
Molecular FormulaC15H26N2O3S2
Molecular Weight346.52 g/mol
Exact Mass346.14
IUPAC NameN-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide
SMILESC[C@@H](NS(=O)(=O)CC[C@H]1CCCO1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C15H26N2O3S2/c1-11(14-16-13(10-21-14)15(2,3)4)17-22(18,19)9-7-12-6-5-8-20-12/h10-12,17H,5-9H2,1-4H3/t11-,12-/m1/s1
InChIKeyOFVHESMEDLMEBY-VXGBXAGGSA-N
XLogP2.99
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide with MolForge

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Related Compounds

2-[(2R)-oxolan-2-yl]-N-[(1R)-1-thiophen-2-ylpropyl]ethanesulfonamide
CID 97096482
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxolan-2-yl)butan-2-one
CID 115787037
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-amine
CID 105015928
2-(2-tert-butylsulfonylethyl)oxolane
CID 59159510
N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide
CID 99827324
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 81409134
2-[2-(oxolan-2-yl)ethylsulfonyl]propanoic acid
CID 65161065
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-methylmethanamine
CID 62071433
N-methyl-2-[(2R)-oxolan-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide
CID 124856489
methyl 2-[2-(oxolan-2-yl)ethylsulfonyl]benzoate
CID 167992070
N-[(4-tert-butyl-1,3-thiazol-2-yl)-cyclopentylmethyl]cyclopropanamine
CID 62070387
1-(4-bromothiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 107167237

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide?
The IUPAC name of N-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide (CID 97089486) is N-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide?
The canonical SMILES for N-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide is C[C@@H](NS(=O)(=O)CC[C@H]1CCCO1)c1nc(C(C)(C)C)cs1.
What is the InChIKey of N-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide?
The InChIKey is OFVHESMEDLMEBY-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H26N2O3S2/c1-11(14-16-13(10-21-14)15(2,3)4)17-22(18,19)9-7-12-6-5-8-20-12/h10-12,17H,5-9H2,1-4H3/t11-,12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide?
N-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide has a molecular weight of 346.52 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide is sourced from PubChem (CID 97089486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).