3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]propanamide

C12H15ClN2OS — CID 43232911

IUPAC3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]propanamide
SMILESNC(=O)CCNC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C12H15ClN2OS/c13-8-1-2-11-9(7-8)10(4-6-17-11)15-5-3-12(14)16/h1-2,7,10,15H,3-6H2,(H2,14,16)
InChIKeyOQTAKXKRLKJPLI-UHFFFAOYSA-N
MW270.78 g/mol
LogP2.34
Rot. Bonds4

About 3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]propanamide

3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]propanamide (PubChem CID 43232911) has the molecular formula C12H15ClN2OS and a molecular weight of 270.78 g/mol. Its IUPAC name is 3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]propanamide
PubChem CID43232911
Molecular FormulaC12H15ClN2OS
Molecular Weight270.78 g/mol
Exact Mass270.06
IUPAC Name3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]propanamide
SMILESNC(=O)CCNC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C12H15ClN2OS/c13-8-1-2-11-9(7-8)10(4-6-17-11)15-5-3-12(14)16/h1-2,7,10,15H,3-6H2,(H2,14,16)
InChIKeyOQTAKXKRLKJPLI-UHFFFAOYSA-N
XLogP2.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]ethylurea
CID 83111726
4-[[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]carbamoylamino]butanamide
CID 97079525
3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-propan-2-ylpropanamide
CID 115709094
3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,N-diethylpropanamide
CID 60925842
6-chloro-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538839
3-[[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]amino]-2,2-dimethylpropanamide
CID 99821535
6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538840
6-chloro-N-(3-cyclopentylpropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 106008850
6-chloro-N-(2-phenylethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43232508
6-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)hexanamide
CID 43709288
3-[2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 103781944
2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106335886

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]propanamide?
The IUPAC name of 3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]propanamide (CID 43232911) is 3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]propanamide.
What is the SMILES notation for 3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]propanamide?
The canonical SMILES for 3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]propanamide is NC(=O)CCNC1CCSc2ccc(Cl)cc21.
What is the InChIKey of 3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]propanamide?
The InChIKey is OQTAKXKRLKJPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2OS/c13-8-1-2-11-9(7-8)10(4-6-17-11)15-5-3-12(14)16/h1-2,7,10,15H,3-6H2,(H2,14,16).
What are the key properties of 3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]propanamide?
3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]propanamide has a molecular weight of 270.78 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]propanamide is sourced from PubChem (CID 43232911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).