N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine

C16H24N2O2S — CID 62990229

IUPACN-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESCC(CNC1CS(=O)(=O)c2ccccc21)CN1CCCC1
InChIInChI=1S/C16H24N2O2S/c1-13(11-18-8-4-5-9-18)10-17-15-12-21(19,20)16-7-3-2-6-14(15)16/h2-3,6-7,13,15,17H,4-5,8-12H2,1H3
InChIKeyVYFXVZHYVQIVNW-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.84
Rot. Bonds5

About N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine

N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 62990229) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID62990229
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESCC(CNC1CS(=O)(=O)c2ccccc21)CN1CCCC1
InChIInChI=1S/C16H24N2O2S/c1-13(11-18-8-4-5-9-18)10-17-15-12-21(19,20)16-7-3-2-6-14(15)16/h2-3,6-7,13,15,17H,4-5,8-12H2,1H3
InChIKeyVYFXVZHYVQIVNW-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 62994581
N-(cyclopentylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522988
N-[(1-methylcyclopentyl)methyl]-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 63822577
N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 75383131
N-(3-morpholin-4-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522982
N-(2-ethoxyethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43590922
2-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]propanoic acid
CID 43638679
N-(1-imidazol-1-ylpropan-2-yl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 61479477
1-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79740768
6-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 81298545
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773752
3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 62990591

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine (CID 62990229) is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine is CC(CNC1CS(=O)(=O)c2ccccc21)CN1CCCC1.
What is the InChIKey of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is VYFXVZHYVQIVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-13(11-18-8-4-5-9-18)10-17-15-12-21(19,20)16-7-3-2-6-14(15)16/h2-3,6-7,13,15,17H,4-5,8-12H2,1H3.
What are the key properties of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 308.45 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 62990229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).