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

C15H26N2O3S2 — CID 126819342

IUPACN-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethoxy)ethanesulfonamide
SMILESCC(C)(C)c1csc(CCNS(=O)(=O)CCOCC2CC2)n1
InChIInChI=1S/C15H26N2O3S2/c1-15(2,3)13-11-21-14(17-13)6-7-16-22(18,19)9-8-20-10-12-4-5-12/h11-12,16H,4-10H2,1-3H3
InChIKeyKYVXJKTUMHJQBA-UHFFFAOYSA-N
MW346.52 g/mol
LogP2.33
Rot. Bonds9

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

N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethoxy)ethanesulfonamide (PubChem CID 126819342) has the molecular formula C15H26N2O3S2 and a molecular weight of 346.52 g/mol. Its IUPAC name is N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethoxy)ethanesulfonamide
PubChem CID126819342
Molecular FormulaC15H26N2O3S2
Molecular Weight346.52 g/mol
Exact Mass346.14
IUPAC NameN-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethoxy)ethanesulfonamide
SMILESCC(C)(C)c1csc(CCNS(=O)(=O)CCOCC2CC2)n1
InChIInChI=1S/C15H26N2O3S2/c1-15(2,3)13-11-21-14(17-13)6-7-16-22(18,19)9-8-20-10-12-4-5-12/h11-12,16H,4-10H2,1-3H3
InChIKeyKYVXJKTUMHJQBA-UHFFFAOYSA-N
XLogP2.33
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 54773857
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 79016300
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 154764560
2-[2-(propylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374878
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide
CID 126795411
3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119878944
methyl (2R)-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 95598034
1-(3-butoxypropyl)-3-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111836784
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 95598021
1-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 119878948
3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylbutanamide
CID 120503773
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclopropyl-N-propylbutan-2-amine
CID 105016097

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethoxy)ethanesulfonamide?
The IUPAC name of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethoxy)ethanesulfonamide (CID 126819342) is N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethoxy)ethanesulfonamide.
What is the SMILES notation for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethoxy)ethanesulfonamide?
The canonical SMILES for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethoxy)ethanesulfonamide is CC(C)(C)c1csc(CCNS(=O)(=O)CCOCC2CC2)n1.
What is the InChIKey of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethoxy)ethanesulfonamide?
The InChIKey is KYVXJKTUMHJQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S2/c1-15(2,3)13-11-21-14(17-13)6-7-16-22(18,19)9-8-20-10-12-4-5-12/h11-12,16H,4-10H2,1-3H3.
What are the key properties of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethoxy)ethanesulfonamide?
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethoxy)ethanesulfonamide has a molecular weight of 346.52 g/mol, XLogP of 2.33, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethoxy)ethanesulfonamide is sourced from PubChem (CID 126819342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).