N-(1-imidazol-1-ylpropan-2-yl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine

C14H17N3O2S — CID 61479477

IUPACN-(1-imidazol-1-ylpropan-2-yl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESCC(Cn1ccnc1)NC1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C14H17N3O2S/c1-11(8-17-7-6-15-10-17)16-13-9-20(18,19)14-5-3-2-4-12(13)14/h2-7,10-11,13,16H,8-9H2,1H3
InChIKeyVDONXVNUUUHNLO-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.39
Rot. Bonds4

About N-(1-imidazol-1-ylpropan-2-yl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine

N-(1-imidazol-1-ylpropan-2-yl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 61479477) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID61479477
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESCC(Cn1ccnc1)NC1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C14H17N3O2S/c1-11(8-17-7-6-15-10-17)16-13-9-20(18,19)14-5-3-2-4-12(13)14/h2-7,10-11,13,16H,8-9H2,1H3
InChIKeyVDONXVNUUUHNLO-UHFFFAOYSA-N
XLogP1.39
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 43749760
4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 103910363
N-(1-imidazol-1-ylpropan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82821543
(6S)-N-(1-imidazol-1-ylpropan-2-yl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81297092
1,1-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine
CID 61473437
2-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]propanoic acid
CID 43638679
3-(1-imidazol-1-ylpropan-2-ylamino)azepan-2-one
CID 54958570
2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 81242155
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylacetamide
CID 56540457
N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565274
N-(1-imidazol-1-ylpropan-2-yl)-3-methylcyclobutan-1-amine
CID 104859674
1-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
CID 95309946

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine (CID 61479477) is N-(1-imidazol-1-ylpropan-2-yl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine is CC(Cn1ccnc1)NC1CS(=O)(=O)c2ccccc21.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is VDONXVNUUUHNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-11(8-17-7-6-15-10-17)16-13-9-20(18,19)14-5-3-2-4-12(13)14/h2-7,10-11,13,16H,8-9H2,1H3.
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
N-(1-imidazol-1-ylpropan-2-yl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 291.38 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 61479477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).