N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,3-dimethylbutan-2-amine

C11H24N2O2S — CID 115752044

IUPACN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,3-dimethylbutan-2-amine
SMILESCC(NCCN1CCCS1(=O)=O)C(C)(C)C
InChIInChI=1S/C11H24N2O2S/c1-10(11(2,3)4)12-6-8-13-7-5-9-16(13,14)15/h10,12H,5-9H2,1-4H3
InChIKeyBYTFWYALMXITMZ-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.05
Rot. Bonds4

About N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,3-dimethylbutan-2-amine

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,3-dimethylbutan-2-amine (PubChem CID 115752044) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,3-dimethylbutan-2-amine
PubChem CID115752044
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,3-dimethylbutan-2-amine
SMILESCC(NCCN1CCCS1(=O)=O)C(C)(C)C
InChIInChI=1S/C11H24N2O2S/c1-10(11(2,3)4)12-6-8-13-7-5-9-16(13,14)15/h10,12H,5-9H2,1-4H3
InChIKeyBYTFWYALMXITMZ-UHFFFAOYSA-N
XLogP1.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]propan-2-ol
CID 104594532
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]methanesulfonamide
CID 48946668
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol
CID 79361203
2-(4-methylpentyl)-1,2-thiazolidine 1,1-dioxide
CID 118931491
1-tert-butyl-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 110965657
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-2,2-dimethylbutanamide
CID 59779901
2-(2-ethyl-3,3-dimethylbutyl)-1,2-thiazolidine 1,1-dioxide
CID 58573599
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylpropan-1-amine
CID 61348834
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]acetamide
CID 110720873
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]prop-2-en-1-amine
CID 62566554
2-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120590902
(1S)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
CID 97065485

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,3-dimethylbutan-2-amine?
The IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,3-dimethylbutan-2-amine (CID 115752044) is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,3-dimethylbutan-2-amine is CC(NCCN1CCCS1(=O)=O)C(C)(C)C.
What is the InChIKey of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,3-dimethylbutan-2-amine?
The InChIKey is BYTFWYALMXITMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-10(11(2,3)4)12-6-8-13-7-5-9-16(13,14)15/h10,12H,5-9H2,1-4H3.
What are the key properties of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,3-dimethylbutan-2-amine?
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,3-dimethylbutan-2-amine has a molecular weight of 248.39 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 115752044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).