N-cyclopropyl-2-(3,4-dihydro-1H-isothiochromen-4-ylamino)acetamide

C14H18N2OS — CID 43778008

IUPACN-cyclopropyl-2-(3,4-dihydro-1H-isothiochromen-4-ylamino)acetamide
SMILESO=C(CNC1CSCc2ccccc21)NC1CC1
InChIInChI=1S/C14H18N2OS/c17-14(16-11-5-6-11)7-15-13-9-18-8-10-3-1-2-4-12(10)13/h1-4,11,13,15H,5-9H2,(H,16,17)
InChIKeyMTKYETDEFZBYJJ-UHFFFAOYSA-N
MW262.38 g/mol
LogP1.84
Rot. Bonds4

About N-cyclopropyl-2-(3,4-dihydro-1H-isothiochromen-4-ylamino)acetamide

N-cyclopropyl-2-(3,4-dihydro-1H-isothiochromen-4-ylamino)acetamide (PubChem CID 43778008) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-cyclopropyl-2-(3,4-dihydro-1H-isothiochromen-4-ylamino)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3,4-dihydro-1H-isothiochromen-4-ylamino)acetamide
PubChem CID43778008
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-cyclopropyl-2-(3,4-dihydro-1H-isothiochromen-4-ylamino)acetamide
SMILESO=C(CNC1CSCc2ccccc21)NC1CC1
InChIInChI=1S/C14H18N2OS/c17-14(16-11-5-6-11)7-15-13-9-18-8-10-3-1-2-4-12(10)13/h1-4,11,13,15H,5-9H2,(H,16,17)
InChIKeyMTKYETDEFZBYJJ-UHFFFAOYSA-N
XLogP1.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(3,4-dihydro-1H-isochromen-4-ylamino)acetamide
CID 107148977
N-(2-bromoprop-2-enyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 115717310
3-[2-(3,4-dihydro-1H-isothiochromen-4-ylamino)ethyl]-1,1-dimethylurea
CID 83116492
3-(3,4-dihydro-1H-isothiochromen-4-ylamino)-N,2,2-trimethylpropanamide
CID 103917224
N-butan-2-yl-3-(3,4-dihydro-1H-isothiochromen-4-ylamino)propanamide
CID 61022207
3-(3,4-dihydro-1H-isothiochromen-4-ylamino)-N,N-diethylpropanamide
CID 60926520
N-(3,3-dimethylbutyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 115712822
N-(oxan-4-ylmethyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 55227965
N-cyclopropyl-3-(2,3-dihydro-1H-inden-1-ylamino)propanamide
CID 62626829
N-(2-ethylbutyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 115718050
N'-(3,4-dihydro-1H-isothiochromen-4-yl)butane-1,4-diamine
CID 60894193
1-[(3,4-dihydro-1H-isothiochromen-4-ylamino)methyl]cycloheptan-1-ol
CID 65123195

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3,4-dihydro-1H-isothiochromen-4-ylamino)acetamide?
The IUPAC name of N-cyclopropyl-2-(3,4-dihydro-1H-isothiochromen-4-ylamino)acetamide (CID 43778008) is N-cyclopropyl-2-(3,4-dihydro-1H-isothiochromen-4-ylamino)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(3,4-dihydro-1H-isothiochromen-4-ylamino)acetamide?
The canonical SMILES for N-cyclopropyl-2-(3,4-dihydro-1H-isothiochromen-4-ylamino)acetamide is O=C(CNC1CSCc2ccccc21)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(3,4-dihydro-1H-isothiochromen-4-ylamino)acetamide?
The InChIKey is MTKYETDEFZBYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c17-14(16-11-5-6-11)7-15-13-9-18-8-10-3-1-2-4-12(10)13/h1-4,11,13,15H,5-9H2,(H,16,17).
What are the key properties of N-cyclopropyl-2-(3,4-dihydro-1H-isothiochromen-4-ylamino)acetamide?
N-cyclopropyl-2-(3,4-dihydro-1H-isothiochromen-4-ylamino)acetamide has a molecular weight of 262.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3,4-dihydro-1H-isothiochromen-4-ylamino)acetamide is sourced from PubChem (CID 43778008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).