N-(1-benzothiophen-3-yl)-5,5-dimethylpyrrolidin-3-amine

C14H18N2S — CID 115145750

IUPACN-(1-benzothiophen-3-yl)-5,5-dimethylpyrrolidin-3-amine
SMILESCC1(C)CC(Nc2csc3ccccc23)CN1
InChIInChI=1S/C14H18N2S/c1-14(2)7-10(8-15-14)16-12-9-17-13-6-4-3-5-11(12)13/h3-6,9-10,15-16H,7-8H2,1-2H3
InChIKeyPJFGQADDCVLKFM-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.45
Rot. Bonds2

About N-(1-benzothiophen-3-yl)-5,5-dimethylpyrrolidin-3-amine

N-(1-benzothiophen-3-yl)-5,5-dimethylpyrrolidin-3-amine (PubChem CID 115145750) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(1-benzothiophen-3-yl)-5,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-yl)-5,5-dimethylpyrrolidin-3-amine
PubChem CID115145750
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-(1-benzothiophen-3-yl)-5,5-dimethylpyrrolidin-3-amine
SMILESCC1(C)CC(Nc2csc3ccccc23)CN1
InChIInChI=1S/C14H18N2S/c1-14(2)7-10(8-15-14)16-12-9-17-13-6-4-3-5-11(12)13/h3-6,9-10,15-16H,7-8H2,1-2H3
InChIKeyPJFGQADDCVLKFM-UHFFFAOYSA-N
XLogP3.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzothiophen-3-yl)oxolan-3-amine
CID 115969854
N-(1-benzothiophen-3-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 60705134
N-(5,5-dimethylpyrrolidin-3-yl)pyridin-2-amine
CID 115145743
N-(1-benzothiophen-3-yl)oxan-3-amine
CID 115976272
1-(1-benzothiophen-3-ylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64840082
N-(3,4-difluorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 115145682
5,5-dimethyl-N-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine
CID 115145902
N-(bromomethyl)-1-benzothiophen-3-amine
CID 115261633
N-(2-piperidin-4-ylethyl)-1-benzothiophen-3-amine
CID 115211557
N-(3,3-dimethylcyclopentyl)-1-benzothiophene-3-carboxamide
CID 114550457
6-(1-benzothiophen-3-ylmethoxymethyl)-2,2-dimethylmorpholine
CID 114775576
2-(1-benzothiophen-3-yl)-3-methylazetidine
CID 116822222

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-yl)-5,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-(1-benzothiophen-3-yl)-5,5-dimethylpyrrolidin-3-amine (CID 115145750) is N-(1-benzothiophen-3-yl)-5,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-(1-benzothiophen-3-yl)-5,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-(1-benzothiophen-3-yl)-5,5-dimethylpyrrolidin-3-amine is CC1(C)CC(Nc2csc3ccccc23)CN1.
What is the InChIKey of N-(1-benzothiophen-3-yl)-5,5-dimethylpyrrolidin-3-amine?
The InChIKey is PJFGQADDCVLKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-14(2)7-10(8-15-14)16-12-9-17-13-6-4-3-5-11(12)13/h3-6,9-10,15-16H,7-8H2,1-2H3.
What are the key properties of N-(1-benzothiophen-3-yl)-5,5-dimethylpyrrolidin-3-amine?
N-(1-benzothiophen-3-yl)-5,5-dimethylpyrrolidin-3-amine has a molecular weight of 246.38 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-yl)-5,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 115145750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).