N-(3,4-dihydro-2H-thiochromen-4-yl)-2-propylpyrrolidine-2-carboxamide

C17H24N2OS — CID 106974332

IUPACN-(3,4-dihydro-2H-thiochromen-4-yl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NC2CCSc3ccccc32)CCCN1
InChIInChI=1S/C17H24N2OS/c1-2-9-17(10-5-11-18-17)16(20)19-14-8-12-21-15-7-4-3-6-13(14)15/h3-4,6-7,14,18H,2,5,8-12H2,1H3,(H,19,20)
InChIKeyNTDIOHNFVVIKMA-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.26
Rot. Bonds4

About N-(3,4-dihydro-2H-thiochromen-4-yl)-2-propylpyrrolidine-2-carboxamide

N-(3,4-dihydro-2H-thiochromen-4-yl)-2-propylpyrrolidine-2-carboxamide (PubChem CID 106974332) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-thiochromen-4-yl)-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-thiochromen-4-yl)-2-propylpyrrolidine-2-carboxamide
PubChem CID106974332
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-(3,4-dihydro-2H-thiochromen-4-yl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NC2CCSc3ccccc32)CCCN1
InChIInChI=1S/C17H24N2OS/c1-2-9-17(10-5-11-18-17)16(20)19-14-8-12-21-15-7-4-3-6-13(14)15/h3-4,6-7,14,18H,2,5,8-12H2,1H3,(H,19,20)
InChIKeyNTDIOHNFVVIKMA-UHFFFAOYSA-N
XLogP3.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-propylpyrrolidine-2-carboxamide (CID 106974332) is N-(3,4-dihydro-2H-thiochromen-4-yl)-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)NC2CCSc3ccccc32)CCCN1.
What is the InChIKey of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-propylpyrrolidine-2-carboxamide?
The InChIKey is NTDIOHNFVVIKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-2-9-17(10-5-11-18-17)16(20)19-14-8-12-21-15-7-4-3-6-13(14)15/h3-4,6-7,14,18H,2,5,8-12H2,1H3,(H,19,20).
What are the key properties of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-propylpyrrolidine-2-carboxamide?
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-propylpyrrolidine-2-carboxamide has a molecular weight of 304.46 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106974332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).