N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide

C20H23N3O2S — CID 119485689

IUPACN-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESNCC1CCN(C(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C20H23N3O2S/c21-11-13-6-8-23(12-13)20(25)17-7-9-26-19(17)22-18(24)16-5-4-14-2-1-3-15(14)10-16/h4-5,7,9-10,13H,1-3,6,8,11-12,21H2,(H,22,24)
InChIKeyCDZNTWARGNHZTC-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.91
Rot. Bonds4

About N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide

N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 119485689) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID119485689
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESNCC1CCN(C(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C20H23N3O2S/c21-11-13-6-8-23(12-13)20(25)17-7-9-26-19(17)22-18(24)16-5-4-14-2-1-3-15(14)10-16/h4-5,7,9-10,13H,1-3,6,8,11-12,21H2,(H,22,24)
InChIKeyCDZNTWARGNHZTC-UHFFFAOYSA-N
XLogP2.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide (CID 119485689) is N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide is NCC1CCN(C(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)C1.
What is the InChIKey of N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is CDZNTWARGNHZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c21-11-13-6-8-23(12-13)20(25)17-7-9-26-19(17)22-18(24)16-5-4-14-2-1-3-15(14)10-16/h4-5,7,9-10,13H,1-3,6,8,11-12,21H2,(H,22,24).
What are the key properties of N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 119485689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).