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

C14H19ClN2OS — CID 99821535

IUPAC3-[[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]amino]-2,2-dimethylpropanamide
SMILESCC(C)(CN[C@@H]1CCSc2ccc(Cl)cc21)C(N)=O
InChIInChI=1S/C14H19ClN2OS/c1-14(2,13(16)18)8-17-11-5-6-19-12-4-3-9(15)7-10(11)12/h3-4,7,11,17H,5-6,8H2,1-2H3,(H2,16,18)/t11-/m1/s1
InChIKeyUBCMKQOZYVHLBB-LLVKDONJSA-N
MW298.84 g/mol
LogP2.98
Rot. Bonds4

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

3-[[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]amino]-2,2-dimethylpropanamide (PubChem CID 99821535) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 3-[[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]amino]-2,2-dimethylpropanamide
PubChem CID99821535
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name3-[[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]amino]-2,2-dimethylpropanamide
SMILESCC(C)(CN[C@@H]1CCSc2ccc(Cl)cc21)C(N)=O
InChIInChI=1S/C14H19ClN2OS/c1-14(2,13(16)18)8-17-11-5-6-19-12-4-3-9(15)7-10(11)12/h3-4,7,11,17H,5-6,8H2,1-2H3,(H2,16,18)/t11-/m1/s1
InChIKeyUBCMKQOZYVHLBB-LLVKDONJSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]amino]-2,2-dimethylpropanamide with MolForge

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Related Compounds

3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]propanamide
CID 43232911
2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]ethylurea
CID 83111726
2,2-dimethyl-3-[[(5R)-2,3,4,5-tetrahydro-1-benzothiepin-5-yl]amino]propanamide
CID 99853780
6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538840
6-chloro-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538839
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
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxybutanamide
CID 47082557
1-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-ethylpentan-2-ol
CID 103783037
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2,2,2-trifluoroacetamide
CID 62492313
3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,N-diethylpropanamide
CID 60925842
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-(methylamino)acetamide;hydrochloride
CID 119696427

Frequently Asked Questions

What is the IUPAC name of 3-[[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]amino]-2,2-dimethylpropanamide (CID 99821535) is 3-[[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]amino]-2,2-dimethylpropanamide is CC(C)(CN[C@@H]1CCSc2ccc(Cl)cc21)C(N)=O.
What is the InChIKey of 3-[[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]amino]-2,2-dimethylpropanamide?
The InChIKey is UBCMKQOZYVHLBB-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c1-14(2,13(16)18)8-17-11-5-6-19-12-4-3-9(15)7-10(11)12/h3-4,7,11,17H,5-6,8H2,1-2H3,(H2,16,18)/t11-/m1/s1.
What are the key properties of 3-[[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]amino]-2,2-dimethylpropanamide?
3-[[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]amino]-2,2-dimethylpropanamide has a molecular weight of 298.84 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 99821535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).