1-cyclopropyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine

C16H24N2S — CID 115727494

IUPAC1-cyclopropyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine
SMILESCC1CC(NC2CCCc3sccc32)CN1C1CC1
InChIInChI=1S/C16H24N2S/c1-11-9-12(10-18(11)13-5-6-13)17-15-3-2-4-16-14(15)7-8-19-16/h7-8,11-13,15,17H,2-6,9-10H2,1H3
InChIKeyOKRBRWZYISQQEH-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.34
Rot. Bonds3

About 1-cyclopropyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine

1-cyclopropyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine (PubChem CID 115727494) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-cyclopropyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine
PubChem CID115727494
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name1-cyclopropyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine
SMILESCC1CC(NC2CCCc3sccc32)CN1C1CC1
InChIInChI=1S/C16H24N2S/c1-11-9-12(10-18(11)13-5-6-13)17-15-3-2-4-16-14(15)7-8-19-16/h7-8,11-13,15,17H,2-6,9-10H2,1H3
InChIKeyOKRBRWZYISQQEH-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine
CID 62841966
N-(3,3,5,5-tetramethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 115998919
N-(4-tert-butylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 63476354
N,2-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine
CID 62842394
2,2-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-dioxan-5-amine
CID 113429660
N-(2-ethylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 103783841
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 62841752
2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)cyclobutane-1-carboxylic acid
CID 103249503
1-[2-(dimethylamino)ethyl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine
CID 71916232
(4R)-N-[(1S,3R)-3-[(R)-ethylsulfinyl]cyclohexyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 97233177
cyclopentyl-[(3R)-3-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]amino]pyrrolidin-1-yl]methanone
CID 97233416
N-(2-propylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 115892167

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine (CID 115727494) is 1-cyclopropyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine is CC1CC(NC2CCCc3sccc32)CN1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine?
The InChIKey is OKRBRWZYISQQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-11-9-12(10-18(11)13-5-6-13)17-15-3-2-4-16-14(15)7-8-19-16/h7-8,11-13,15,17H,2-6,9-10H2,1H3.
What are the key properties of 1-cyclopropyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine?
1-cyclopropyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine has a molecular weight of 276.45 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 115727494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).