N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(propan-2-ylamino)propanamide

C15H22N2OS — CID 60854166

IUPACN-(3,4-dihydro-2H-thiochromen-4-yl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NC1CCSc2ccccc21
InChIInChI=1S/C15H22N2OS/c1-11(2)16-9-7-15(18)17-13-8-10-19-14-6-4-3-5-12(13)14/h3-6,11,13,16H,7-10H2,1-2H3,(H,17,18)
InChIKeyNLAHMNDUEZVZBJ-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.73
Rot. Bonds5

About N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(propan-2-ylamino)propanamide

N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(propan-2-ylamino)propanamide (PubChem CID 60854166) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-thiochromen-4-yl)-3-(propan-2-ylamino)propanamide
PubChem CID60854166
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-(3,4-dihydro-2H-thiochromen-4-yl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NC1CCSc2ccccc21
InChIInChI=1S/C15H22N2OS/c1-11(2)16-9-7-15(18)17-13-8-10-19-14-6-4-3-5-12(13)14/h3-6,11,13,16H,7-10H2,1-2H3,(H,17,18)
InChIKeyNLAHMNDUEZVZBJ-UHFFFAOYSA-N
XLogP2.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 107903329
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(2-methylphenoxy)propanamide
CID 25442457
3-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 24547813
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39547754
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 41078944
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)acetamide
CID 8933642
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-N-(2-methoxyethyl)propanamide
CID 115711938
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 94078717
(2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)butanamide
CID 79024984
(3S)-3-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]amino]butanamide
CID 40953266
2-(1-adamantyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 4785473
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7678552

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(propan-2-ylamino)propanamide (CID 60854166) is N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)NC1CCSc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(propan-2-ylamino)propanamide?
The InChIKey is NLAHMNDUEZVZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-11(2)16-9-7-15(18)17-13-8-10-19-14-6-4-3-5-12(13)14/h3-6,11,13,16H,7-10H2,1-2H3,(H,17,18).
What are the key properties of N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(propan-2-ylamino)propanamide?
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(propan-2-ylamino)propanamide has a molecular weight of 278.42 g/mol, XLogP of 2.73, 5 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)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60854166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).