N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine

C17H26N2S — CID 79222856

IUPACN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
SMILESCC(C)N1CCC(CNCC2Cc3ccccc3S2)C1
InChIInChI=1S/C17H26N2S/c1-13(2)19-8-7-14(12-19)10-18-11-16-9-15-5-3-4-6-17(15)20-16/h3-6,13-14,16,18H,7-12H2,1-2H3
InChIKeyPTAZSUQXOFHOKN-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.02
Rot. Bonds5

About N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine

N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine (PubChem CID 79222856) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
PubChem CID79222856
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC NameN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
SMILESCC(C)N1CCC(CNCC2Cc3ccccc3S2)C1
InChIInChI=1S/C17H26N2S/c1-13(2)19-8-7-14(12-19)10-18-11-16-9-15-5-3-4-6-17(15)20-16/h3-6,13-14,16,18H,7-12H2,1-2H3
InChIKeyPTAZSUQXOFHOKN-UHFFFAOYSA-N
XLogP3.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]methanamine
CID 79222485
3-[(2,3-dihydro-1-benzothiophen-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 106129491
1-(1-propan-2-ylpyrrolidin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine
CID 63773492
1-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-4-methylpentan-2-ol
CID 107152561
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 79223012
5-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylpentan-1-amine
CID 114150798
2-(2,3-dihydroindol-1-yl)-2-oxo-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide
CID 95161347
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylbut-2-en-1-amine
CID 106188620
4-bromo-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)butan-2-amine
CID 83188006
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methoxy-2-methylpropan-1-amine
CID 79223006
(2S)-2-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)propane-1,2-diamine
CID 104867546
2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)propanamide
CID 79214050

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine (CID 79222856) is N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine is CC(C)N1CCC(CNCC2Cc3ccccc3S2)C1.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine?
The InChIKey is PTAZSUQXOFHOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-13(2)19-8-7-14(12-19)10-18-11-16-9-15-5-3-4-6-17(15)20-16/h3-6,13-14,16,18H,7-12H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine?
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine has a molecular weight of 290.48 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 79222856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).