(2-aminospiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopentane]-3-yl)-pyrrolidin-1-ylmethanone

C17H24N2OS — CID 114817988

IUPAC(2-aminospiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopentane]-3-yl)-pyrrolidin-1-ylmethanone
SMILESNc1sc2c(c1C(=O)N1CCCC1)CCC1(CCCC1)C2
InChIInChI=1S/C17H24N2OS/c18-15-14(16(20)19-9-3-4-10-19)12-5-8-17(6-1-2-7-17)11-13(12)21-15/h1-11,18H2
InChIKeyQGMZVZCDZSNGAX-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.62
Rot. Bonds1

About (2-aminospiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopentane]-3-yl)-pyrrolidin-1-ylmethanone

(2-aminospiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopentane]-3-yl)-pyrrolidin-1-ylmethanone (PubChem CID 114817988) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is (2-aminospiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopentane]-3-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-aminospiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopentane]-3-yl)-pyrrolidin-1-ylmethanone
PubChem CID114817988
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name(2-aminospiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopentane]-3-yl)-pyrrolidin-1-ylmethanone
SMILESNc1sc2c(c1C(=O)N1CCCC1)CCC1(CCCC1)C2
InChIInChI=1S/C17H24N2OS/c18-15-14(16(20)19-9-3-4-10-19)12-5-8-17(6-1-2-7-17)11-13(12)21-15/h1-11,18H2
InChIKeyQGMZVZCDZSNGAX-UHFFFAOYSA-N
XLogP3.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

(2-amino-4,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-3-yl)-pyrrolidin-1-ylmethanone
CID 79840390
(2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-piperidin-1-ylmethanone
CID 43367365
(2-amino-4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone
CID 64775355
3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 142146921
5-amino-N,3-dimethyl-4-(pyrrolidine-1-carbonyl)thiophene-2-carboxamide
CID 64975435
2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 5151249
5-amino-N,N,3-trimethyl-4-(piperidine-1-carbonyl)thiophene-2-carboxamide
CID 64975447
ethyl 2-amino-6,6-difluoro-5,7-dihydro-4H-1-benzothiophene-3-carboxylate
CID 71530536
2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid
CID 75409780
6-(azepane-1-carbonyl)-3,3-dimethyl-2,4-dihydro-1H-thioxanthen-9-one
CID 59982160
9-[1-(2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carbonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one
CID 91460373
1-(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)ethanone
CID 65354676

Frequently Asked Questions

What is the IUPAC name of (2-aminospiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopentane]-3-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-aminospiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopentane]-3-yl)-pyrrolidin-1-ylmethanone (CID 114817988) is (2-aminospiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopentane]-3-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-aminospiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopentane]-3-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-aminospiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopentane]-3-yl)-pyrrolidin-1-ylmethanone is Nc1sc2c(c1C(=O)N1CCCC1)CCC1(CCCC1)C2.
What is the InChIKey of (2-aminospiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopentane]-3-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is QGMZVZCDZSNGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c18-15-14(16(20)19-9-3-4-10-19)12-5-8-17(6-1-2-7-17)11-13(12)21-15/h1-11,18H2.
What are the key properties of (2-aminospiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopentane]-3-yl)-pyrrolidin-1-ylmethanone?
(2-aminospiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopentane]-3-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 304.46 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminospiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopentane]-3-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 114817988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).