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

C11H12ClNOS — CID 24894266

IUPACN-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]acetamide
SMILESCC(=O)N[C@H]1CCSc2ccc(Cl)cc21
InChIInChI=1S/C11H12ClNOS/c1-7(14)13-10-4-5-15-11-3-2-8(12)6-9(10)11/h2-3,6,10H,4-5H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyKVXLNNXERXVLLG-JTQLQIEISA-N
MW241.74 g/mol
LogP3.01
Rot. Bonds1

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

N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]acetamide (PubChem CID 24894266) has the molecular formula C11H12ClNOS and a molecular weight of 241.74 g/mol. Its IUPAC name is N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]acetamide
PubChem CID24894266
Molecular FormulaC11H12ClNOS
Molecular Weight241.74 g/mol
Exact Mass241.03
IUPAC NameN-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]acetamide
SMILESCC(=O)N[C@H]1CCSc2ccc(Cl)cc21
InChIInChI=1S/C11H12ClNOS/c1-7(14)13-10-4-5-15-11-3-2-8(12)6-9(10)11/h2-3,6,10H,4-5H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyKVXLNNXERXVLLG-JTQLQIEISA-N
XLogP3.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]acetamide?
The IUPAC name of N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]acetamide (CID 24894266) is N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]acetamide.
What is the SMILES notation for N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]acetamide?
The canonical SMILES for N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]acetamide is CC(=O)N[C@H]1CCSc2ccc(Cl)cc21.
What is the InChIKey of N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]acetamide?
The InChIKey is KVXLNNXERXVLLG-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12ClNOS/c1-7(14)13-10-4-5-15-11-3-2-8(12)6-9(10)11/h2-3,6,10H,4-5H2,1H3,(H,13,14)/t10-/m0/s1.
What are the key properties of N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]acetamide?
N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]acetamide has a molecular weight of 241.74 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]acetamide is sourced from PubChem (CID 24894266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).