(3aS,4S,8bR)-N,N-dimethyl-2-(thiophen-3-ylmethyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine

C18H22N2S — CID 125260218

IUPAC(3aS,4S,8bR)-N,N-dimethyl-2-(thiophen-3-ylmethyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine
SMILESCN(C)[C@@H]1c2ccccc2[C@@H]2CN(Cc3ccsc3)C[C@@H]12
InChIInChI=1S/C18H22N2S/c1-19(2)18-15-6-4-3-5-14(15)16-10-20(11-17(16)18)9-13-7-8-21-12-13/h3-8,12,16-18H,9-11H2,1-2H3/t16-,17+,18+/m0/s1
InChIKeyPGRQITFCFUKSNX-RCCFBDPRSA-N
MW298.45 g/mol
LogP3.58
Rot. Bonds3

About (3aS,4S,8bR)-N,N-dimethyl-2-(thiophen-3-ylmethyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine

(3aS,4S,8bR)-N,N-dimethyl-2-(thiophen-3-ylmethyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine (PubChem CID 125260218) has the molecular formula C18H22N2S and a molecular weight of 298.45 g/mol. Its IUPAC name is (3aS,4S,8bR)-N,N-dimethyl-2-(thiophen-3-ylmethyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine.

Molecular Properties

Compound Name(3aS,4S,8bR)-N,N-dimethyl-2-(thiophen-3-ylmethyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine
PubChem CID125260218
Molecular FormulaC18H22N2S
Molecular Weight298.45 g/mol
Exact Mass298.15
IUPAC Name(3aS,4S,8bR)-N,N-dimethyl-2-(thiophen-3-ylmethyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine
SMILESCN(C)[C@@H]1c2ccccc2[C@@H]2CN(Cc3ccsc3)C[C@@H]12
InChIInChI=1S/C18H22N2S/c1-19(2)18-15-6-4-3-5-14(15)16-10-20(11-17(16)18)9-13-7-8-21-12-13/h3-8,12,16-18H,9-11H2,1-2H3/t16-,17+,18+/m0/s1
InChIKeyPGRQITFCFUKSNX-RCCFBDPRSA-N
XLogP3.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aS,4S,8bR)-N,N-dimethyl-2-(thiophen-3-ylmethyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine with MolForge

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Related Compounds

(3aR,4R,8bR)-2-(cyclopropylmethyl)-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine
CID 97381003
1-(thiophen-3-ylmethyl)azetidine
CID 131087701
2-benzyl-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole
CID 19795703
(3S,5R)-5-methyl-1-(thiophen-3-ylmethyl)piperidin-3-ol
CID 131084735
2-[1-(thiophen-3-ylmethyl)azetidin-3-yl]propanoic acid
CID 116684210
(3aR,6aR)-5-pyrimidin-2-yl-2-(thiophen-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97377083
N-[[(3R,3aR,6aR)-5-(thiophen-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]benzenesulfonamide
CID 124776614
4-bromo-3,3-dimethyl-1-(thiophen-3-ylmethyl)pyrrolidine
CID 130892965
1-(thiophen-3-ylmethyl)pyrrolidin-3-ol
CID 62916311
3-bromo-1-(thiophen-3-ylmethyl)pyrrolidine
CID 80675822
N-[[(3S,4R)-4-(4-methylphenyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 129427278
1-benzyl-N,N-dimethylazetidin-3-amine
CID 53414031

Frequently Asked Questions

What is the IUPAC name of (3aS,4S,8bR)-N,N-dimethyl-2-(thiophen-3-ylmethyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine?
The IUPAC name of (3aS,4S,8bR)-N,N-dimethyl-2-(thiophen-3-ylmethyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine (CID 125260218) is (3aS,4S,8bR)-N,N-dimethyl-2-(thiophen-3-ylmethyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine.
What is the SMILES notation for (3aS,4S,8bR)-N,N-dimethyl-2-(thiophen-3-ylmethyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine?
The canonical SMILES for (3aS,4S,8bR)-N,N-dimethyl-2-(thiophen-3-ylmethyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine is CN(C)[C@@H]1c2ccccc2[C@@H]2CN(Cc3ccsc3)C[C@@H]12.
What is the InChIKey of (3aS,4S,8bR)-N,N-dimethyl-2-(thiophen-3-ylmethyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine?
The InChIKey is PGRQITFCFUKSNX-RCCFBDPRSA-N. The full InChI is InChI=1S/C18H22N2S/c1-19(2)18-15-6-4-3-5-14(15)16-10-20(11-17(16)18)9-13-7-8-21-12-13/h3-8,12,16-18H,9-11H2,1-2H3/t16-,17+,18+/m0/s1.
What are the key properties of (3aS,4S,8bR)-N,N-dimethyl-2-(thiophen-3-ylmethyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine?
(3aS,4S,8bR)-N,N-dimethyl-2-(thiophen-3-ylmethyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine has a molecular weight of 298.45 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4S,8bR)-N,N-dimethyl-2-(thiophen-3-ylmethyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine is sourced from PubChem (CID 125260218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).