3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol

C10H17NO3S2 — CID 115824151

IUPAC3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol
SMILESCc1csc(CC(O)C(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C10H17NO3S2/c1-7-6-15-9(11-7)5-8(12)10(2,3)16(4,13)14/h6,8,12H,5H2,1-4H3
InChIKeyPJRSOAXECLLJAV-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.18
Rot. Bonds4

About 3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol

3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol (PubChem CID 115824151) has the molecular formula C10H17NO3S2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol.

Molecular Properties

Compound Name3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol
PubChem CID115824151
Molecular FormulaC10H17NO3S2
Molecular Weight263.38 g/mol
Exact Mass263.06
IUPAC Name3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol
SMILESCc1csc(CC(O)C(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C10H17NO3S2/c1-7-6-15-9(11-7)5-8(12)10(2,3)16(4,13)14/h6,8,12H,5H2,1-4H3
InChIKeyPJRSOAXECLLJAV-UHFFFAOYSA-N
XLogP1.18
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol
CID 130589293
3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 105019182
1-(4-methyl-1,3-thiazol-2-yl)butane-2,3-diol
CID 103452784
4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103457297
5-ethylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol
CID 65095838
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62797218
3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 105019405
N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62795685
1-(4-methyl-1,3-thiazol-2-yl)-3-propylhexan-2-ol
CID 115824197
(2R)-2-(methanesulfonamido)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
CID 98314597
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine
CID 105015897
(2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 130629082

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol?
The IUPAC name of 3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol (CID 115824151) is 3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol.
What is the SMILES notation for 3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol?
The canonical SMILES for 3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol is Cc1csc(CC(O)C(C)(C)S(C)(=O)=O)n1.
What is the InChIKey of 3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol?
The InChIKey is PJRSOAXECLLJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S2/c1-7-6-15-9(11-7)5-8(12)10(2,3)16(4,13)14/h6,8,12H,5H2,1-4H3.
What are the key properties of 3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol?
3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol is sourced from PubChem (CID 115824151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).