4-methyl-2-(4-methylpent-1-yn-3-yl)-1,2-thiazolidine 1,1-dioxide

C10H17NO2S — CID 130481412

IUPAC4-methyl-2-(4-methylpent-1-yn-3-yl)-1,2-thiazolidine 1,1-dioxide
SMILESC#CC(C(C)C)N1CC(C)CS1(=O)=O
InChIInChI=1S/C10H17NO2S/c1-5-10(8(2)3)11-6-9(4)7-14(11,12)13/h1,8-10H,6-7H2,2-4H3
InChIKeyNYMYRZNSJMSCBL-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.93
Rot. Bonds2

About 4-methyl-2-(4-methylpent-1-yn-3-yl)-1,2-thiazolidine 1,1-dioxide

4-methyl-2-(4-methylpent-1-yn-3-yl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 130481412) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 4-methyl-2-(4-methylpent-1-yn-3-yl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name4-methyl-2-(4-methylpent-1-yn-3-yl)-1,2-thiazolidine 1,1-dioxide
PubChem CID130481412
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name4-methyl-2-(4-methylpent-1-yn-3-yl)-1,2-thiazolidine 1,1-dioxide
SMILESC#CC(C(C)C)N1CC(C)CS1(=O)=O
InChIInChI=1S/C10H17NO2S/c1-5-10(8(2)3)11-6-9(4)7-14(11,12)13/h1,8-10H,6-7H2,2-4H3
InChIKeyNYMYRZNSJMSCBL-UHFFFAOYSA-N
XLogP0.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylpent-1-yn-3-yl)thiazinane 1,1-dioxide
CID 130481421
2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butanenitrile
CID 79580018
2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propane-1,3-diamine
CID 127013325
3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentanenitrile
CID 79579598
4-methyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentanoic acid
CID 79579929
2-cyclohexyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile
CID 79580437
4-methyl-2-propan-2-ylthiazinane 1,1-dioxide
CID 67806027
2-hex-5-ynyl-4-methyl-1,2-thiazolidine 1,1-dioxide
CID 106209078
2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylsulfonylbutanoic acid
CID 79580426
2-(azetidin-3-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide
CID 79588814
4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol
CID 107155525
3-[3-[1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]phenyl]prop-2-enoic acid
CID 79557559

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylpent-1-yn-3-yl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 4-methyl-2-(4-methylpent-1-yn-3-yl)-1,2-thiazolidine 1,1-dioxide (CID 130481412) is 4-methyl-2-(4-methylpent-1-yn-3-yl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 4-methyl-2-(4-methylpent-1-yn-3-yl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 4-methyl-2-(4-methylpent-1-yn-3-yl)-1,2-thiazolidine 1,1-dioxide is C#CC(C(C)C)N1CC(C)CS1(=O)=O.
What is the InChIKey of 4-methyl-2-(4-methylpent-1-yn-3-yl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is NYMYRZNSJMSCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-5-10(8(2)3)11-6-9(4)7-14(11,12)13/h1,8-10H,6-7H2,2-4H3.
What are the key properties of 4-methyl-2-(4-methylpent-1-yn-3-yl)-1,2-thiazolidine 1,1-dioxide?
4-methyl-2-(4-methylpent-1-yn-3-yl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 215.32 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylpent-1-yn-3-yl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 130481412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).