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

C12H18N2O2S — CID 62565429

IUPACN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methylaniline
SMILESCc1cccc(NCCN2CCCS2(=O)=O)c1
InChIInChI=1S/C12H18N2O2S/c1-11-4-2-5-12(10-11)13-6-8-14-7-3-9-17(14,15)16/h2,4-5,10,13H,3,6-9H2,1H3
InChIKeyNSSZEHUWYWCHPN-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.44
Rot. Bonds4

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

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methylaniline (PubChem CID 62565429) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methylaniline.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methylaniline
PubChem CID62565429
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methylaniline
SMILESCc1cccc(NCCN2CCCS2(=O)=O)c1
InChIInChI=1S/C12H18N2O2S/c1-11-4-2-5-12(10-11)13-6-8-14-7-3-9-17(14,15)16/h2,4-5,10,13H,3,6-9H2,1H3
InChIKeyNSSZEHUWYWCHPN-UHFFFAOYSA-N
XLogP1.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline
CID 62566005
N-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]-3-methylaniline
CID 63503965
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methylquinolin-2-amine
CID 71968315
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-hydroxy-5-methylbenzamide
CID 49090758
N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-3-methylaniline
CID 62889245
N-[(3-bromo-4-methylphenyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine
CID 126802467
3-(dimethylamino)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]benzamide
CID 49090745
ethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide
CID 166090798
1-[(3-methylanilino)methyl]cyclopentan-1-ol
CID 65210676
3-bromo-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]aniline
CID 62559315
3-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]methyl]benzonitrile
CID 119123213
5-methyl-3-[2-(3-methylanilino)ethyl]-1,3-benzoxazol-2-one
CID 176909803

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methylaniline?
The IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methylaniline (CID 62565429) is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methylaniline.
What is the SMILES notation for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methylaniline?
The canonical SMILES for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methylaniline is Cc1cccc(NCCN2CCCS2(=O)=O)c1.
What is the InChIKey of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methylaniline?
The InChIKey is NSSZEHUWYWCHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-11-4-2-5-12(10-11)13-6-8-14-7-3-9-17(14,15)16/h2,4-5,10,13H,3,6-9H2,1H3.
What are the key properties of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methylaniline?
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methylaniline has a molecular weight of 254.35 g/mol, XLogP of 1.44, 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-methylaniline is sourced from PubChem (CID 62565429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).