N-[[4-[3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine

C24H25N3O2S — CID 59316546

IUPACN-[[4-[3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine
SMILESO=S1(=O)NCCN1c1cccc(-c2ccc(CNC3Cc4ccccc4C3)cc2)c1
InChIInChI=1S/C24H25N3O2S/c28-30(29)26-12-13-27(30)24-7-3-6-22(16-24)19-10-8-18(9-11-19)17-25-23-14-20-4-1-2-5-21(20)15-23/h1-11,16,23,25-26H,12-15,17H2
InChIKeyKKEDFPBUWDYHQV-UHFFFAOYSA-N
MW419.55 g/mol
LogP3.27
Rot. Bonds5

About N-[[4-[3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine

N-[[4-[3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 59316546) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[[4-[3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[[4-[3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID59316546
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC NameN-[[4-[3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine
SMILESO=S1(=O)NCCN1c1cccc(-c2ccc(CNC3Cc4ccccc4C3)cc2)c1
InChIInChI=1S/C24H25N3O2S/c28-30(29)26-12-13-27(30)24-7-3-6-22(16-24)19-10-8-18(9-11-19)17-25-23-14-20-4-1-2-5-21(20)15-23/h1-11,16,23,25-26H,12-15,17H2
InChIKeyKKEDFPBUWDYHQV-UHFFFAOYSA-N
XLogP3.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]phenyl]imidazolidin-2-one
CID 59316484
3-[3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]phenyl]-1H-imidazol-2-one
CID 59316380
N-[[4-[3-(1H-pyrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine;2,2,2-trifluoroacetic acid
CID 68603893
1-methyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine
CID 43215927
3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 44523722
N-(furan-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 115711462
N-[(3-cyclopropylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 107849884
methyl 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]benzoate
CID 103656733
2-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-1,2-thiazolidine 1,1-dioxide
CID 58957321
N-(1H-indol-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 17221788
4-[3-chloro-5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]benzamide
CID 58276377
N-[(3-pyridin-4-ylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-3-amine
CID 166362640

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[[4-[3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine (CID 59316546) is N-[[4-[3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[[4-[3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[[4-[3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine is O=S1(=O)NCCN1c1cccc(-c2ccc(CNC3Cc4ccccc4C3)cc2)c1.
What is the InChIKey of N-[[4-[3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is KKEDFPBUWDYHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c28-30(29)26-12-13-27(30)24-7-3-6-22(16-24)19-10-8-18(9-11-19)17-25-23-14-20-4-1-2-5-21(20)15-23/h1-11,16,23,25-26H,12-15,17H2.
What are the key properties of N-[[4-[3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine?
N-[[4-[3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 419.55 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 59316546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).