2-(4-methylpentyl)-1,2-thiazolidine 1,1-dioxide

C9H19NO2S — CID 118931491

IUPAC2-(4-methylpentyl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)CCCN1CCCS1(=O)=O
InChIInChI=1S/C9H19NO2S/c1-9(2)5-3-6-10-7-4-8-13(10,11)12/h9H,3-8H2,1-2H3
InChIKeyYTUDMTXYJHCWRL-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.46
Rot. Bonds4

About 2-(4-methylpentyl)-1,2-thiazolidine 1,1-dioxide

2-(4-methylpentyl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 118931491) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-(4-methylpentyl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(4-methylpentyl)-1,2-thiazolidine 1,1-dioxide
PubChem CID118931491
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-(4-methylpentyl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)CCCN1CCCS1(=O)=O
InChIInChI=1S/C9H19NO2S/c1-9(2)5-3-6-10-7-4-8-13(10,11)12/h9H,3-8H2,1-2H3
InChIKeyYTUDMTXYJHCWRL-UHFFFAOYSA-N
XLogP1.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1,1-dioxothiazinan-2-yl)-2-methylpentanoic acid
CID 116814539
5-(1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol
CID 62228047
6-(1,1-dioxo-1,2-thiazolidin-2-yl)hexan-2-one
CID 62025074
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylpropan-1-amine
CID 61348834
methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoate
CID 43620009
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,3-dimethylbutan-2-amine
CID 115752044
1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]propan-2-ol
CID 104594532
5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-dimethylpentanenitrile
CID 65257590
3-(1,1-dioxothiazinan-2-yl)-N-ethylpropan-1-amine
CID 116816769
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol
CID 79361203
2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]-4-methylpentanoic acid
CID 119188476
(2R)-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]propanoic acid
CID 119244358

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentyl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(4-methylpentyl)-1,2-thiazolidine 1,1-dioxide (CID 118931491) is 2-(4-methylpentyl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(4-methylpentyl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(4-methylpentyl)-1,2-thiazolidine 1,1-dioxide is CC(C)CCCN1CCCS1(=O)=O.
What is the InChIKey of 2-(4-methylpentyl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is YTUDMTXYJHCWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-9(2)5-3-6-10-7-4-8-13(10,11)12/h9H,3-8H2,1-2H3.
What are the key properties of 2-(4-methylpentyl)-1,2-thiazolidine 1,1-dioxide?
2-(4-methylpentyl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 205.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentyl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 118931491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).