N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide

C9H16N2O2S2 — CID 110441243

IUPACN-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide
SMILESCC(C)c1csc(CCNS(C)(=O)=O)n1
InChIInChI=1S/C9H16N2O2S2/c1-7(2)8-6-14-9(11-8)4-5-10-15(3,12)13/h6-7,10H,4-5H2,1-3H3
InChIKeyRBMXJPAEBYUBTC-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.36
Rot. Bonds5

About N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide

N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide (PubChem CID 110441243) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide
PubChem CID110441243
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC NameN-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide
SMILESCC(C)c1csc(CCNS(C)(=O)=O)n1
InChIInChI=1S/C9H16N2O2S2/c1-7(2)8-6-14-9(11-8)4-5-10-15(3,12)13/h6-7,10H,4-5H2,1-3H3
InChIKeyRBMXJPAEBYUBTC-UHFFFAOYSA-N
XLogP1.36
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
CID 3241103
2-[2-(Propan-2-yl)-1,3-thiazol-4-yl]ethan-1-amine
CID 25219193
2-(2-Tert-butyl-1,3-thiazol-4-yl)ethan-1-amine
CID 62928439
N-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]methanesulfonamide
CID 71869004
N-(3-methylsulfonylpropyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 71986796
N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide
CID 71986802
N-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]ethanesulfonamide
CID 72114790
2-(4-Tert-butyl-1,3-thiazol-2-yl)ethan-1-amine
CID 5042001
1-[4-(Propan-2-yl)-1,3-thiazol-2-yl]ethan-1-amine hydrochloride
CID 177801109
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide
CID 47146723
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide
CID 53591315
1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 86789760

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide (CID 110441243) is N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide is CC(C)c1csc(CCNS(C)(=O)=O)n1.
What is the InChIKey of N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide?
The InChIKey is RBMXJPAEBYUBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S2/c1-7(2)8-6-14-9(11-8)4-5-10-15(3,12)13/h6-7,10H,4-5H2,1-3H3.
What are the key properties of N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide?
N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide has a molecular weight of 248.37 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 110441243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).