3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide

C15H20N2OS — CID 66032874

IUPAC3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NC2CCSc3ccccc32)C1
InChIInChI=1S/C15H20N2OS/c16-11-6-5-10(9-11)15(18)17-13-7-8-19-14-4-2-1-3-12(13)14/h1-4,10-11,13H,5-9,16H2,(H,17,18)
InChIKeyGIBPFHABLISJPF-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.47
Rot. Bonds2

About 3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide

3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide (PubChem CID 66032874) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide
PubChem CID66032874
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NC2CCSc3ccccc32)C1
InChIInChI=1S/C15H20N2OS/c16-11-6-5-10(9-11)15(18)17-13-7-8-19-14-4-2-1-3-12(13)14/h1-4,10-11,13H,5-9,16H2,(H,17,18)
InChIKeyGIBPFHABLISJPF-UHFFFAOYSA-N
XLogP2.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide
CID 63041813
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide
CID 64822346
3-amino-N-(2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
CID 63042687
(3R)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide
CID 81123604
3-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide
CID 63042686
4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide
CID 60850857
1-(cyclopropanecarbonyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide
CID 51103447
5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)pyrazolidine-3-carboxamide
CID 75617518
N-(3,4-dihydro-2H-thiochromen-4-yl)thiomorpholine-3-carboxamide
CID 82906018
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-ethylbutanamide
CID 79810400
1-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide
CID 43697767
(2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylacetamide
CID 104897215

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide (CID 66032874) is 3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide is NC1CCC(C(=O)NC2CCSc3ccccc32)C1.
What is the InChIKey of 3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide?
The InChIKey is GIBPFHABLISJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c16-11-6-5-10(9-11)15(18)17-13-7-8-19-14-4-2-1-3-12(13)14/h1-4,10-11,13H,5-9,16H2,(H,17,18).
What are the key properties of 3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide?
3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 66032874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).