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

C15H20N2OS — CID 64822346

IUPAC2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide
SMILESNC1CCCC1C(=O)NC1CCSc2ccccc21
InChIInChI=1S/C15H20N2OS/c16-12-6-3-5-10(12)15(18)17-13-8-9-19-14-7-2-1-4-11(13)14/h1-2,4,7,10,12-13H,3,5-6,8-9,16H2,(H,17,18)
InChIKeyQIVCANUKBILDGM-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.47
Rot. Bonds2

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

2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide (PubChem CID 64822346) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide
PubChem CID64822346
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide
SMILESNC1CCCC1C(=O)NC1CCSc2ccccc21
InChIInChI=1S/C15H20N2OS/c16-12-6-3-5-10(12)15(18)17-13-8-9-19-14-7-2-1-4-11(13)14/h1-2,4,7,10,12-13H,3,5-6,8-9,16H2,(H,17,18)
InChIKeyQIVCANUKBILDGM-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

trans-(1R,2R)-2-amino-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopentane-1-carboxamide
CID 177310658
2-amino-N-(2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
CID 64824104
3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide
CID 63041813
3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide
CID 66032874
2-amino-N-(3,4-dihydro-2H-chromen-4-yl)cyclopentane-1-carboxamide
CID 64824525
5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)pyrazolidine-3-carboxamide
CID 75617518
2-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide
CID 107221860
2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide
CID 107222294
N-(3,4-dihydro-2H-thiochromen-4-yl)thiomorpholine-3-carboxamide
CID 82906018
(3R)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide
CID 81123604
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide (CID 64822346) is 2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide is NC1CCCC1C(=O)NC1CCSc2ccccc21.
What is the InChIKey of 2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide?
The InChIKey is QIVCANUKBILDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c16-12-6-3-5-10(12)15(18)17-13-8-9-19-14-7-2-1-4-11(13)14/h1-2,4,7,10,12-13H,3,5-6,8-9,16H2,(H,17,18).
What are the key properties of 2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide?
2-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 2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 64822346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).