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

C16H23ClN2OS — CID 60925842

IUPAC3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C16H23ClN2OS/c1-3-19(4-2)16(20)7-9-18-14-8-10-21-15-6-5-12(17)11-13(14)15/h5-6,11,14,18H,3-4,7-10H2,1-2H3
InChIKeyHMWMRCXSQUSGPZ-UHFFFAOYSA-N
MW326.89 g/mol
LogP3.72
Rot. Bonds6

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

3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,N-diethylpropanamide (PubChem CID 60925842) has the molecular formula C16H23ClN2OS and a molecular weight of 326.89 g/mol. Its IUPAC name is 3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,N-diethylpropanamide
PubChem CID60925842
Molecular FormulaC16H23ClN2OS
Molecular Weight326.89 g/mol
Exact Mass326.12
IUPAC Name3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C16H23ClN2OS/c1-3-19(4-2)16(20)7-9-18-14-8-10-21-15-6-5-12(17)11-13(14)15/h5-6,11,14,18H,3-4,7-10H2,1-2H3
InChIKeyHMWMRCXSQUSGPZ-UHFFFAOYSA-N
XLogP3.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.89
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]propanamide
CID 43232911
3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-propan-2-ylpropanamide
CID 115709094
6-chloro-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538839
3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
CID 81321990
6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538840
2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]ethylurea
CID 83111726
2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106335886
3-[[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]amino]-2,2-dimethylpropanamide
CID 99821535
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylsulfanylpropanamide
CID 43045487
4-[[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]carbamoylamino]butanamide
CID 97079525
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

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,N-diethylpropanamide?
The IUPAC name of 3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,N-diethylpropanamide (CID 60925842) is 3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNC1CCSc2ccc(Cl)cc21.
What is the InChIKey of 3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,N-diethylpropanamide?
The InChIKey is HMWMRCXSQUSGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2OS/c1-3-19(4-2)16(20)7-9-18-14-8-10-21-15-6-5-12(17)11-13(14)15/h5-6,11,14,18H,3-4,7-10H2,1-2H3.
What are the key properties of 3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,N-diethylpropanamide?
3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,N-diethylpropanamide has a molecular weight of 326.89 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 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]-N,N-diethylpropanamide is sourced from PubChem (CID 60925842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).