(3S)-N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine

C10H10ClNO2S — CID 7126529

IUPAC(3S)-N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESO=S1(=O)C=C[C@H](Nc2cccc(Cl)c2)C1
InChIInChI=1S/C10H10ClNO2S/c11-8-2-1-3-9(6-8)12-10-4-5-15(13,14)7-10/h1-6,10,12H,7H2/t10-/m0/s1
InChIKeyUGUVUDMRBPYWNO-JTQLQIEISA-N
MW243.72 g/mol
LogP2.06
Rot. Bonds2

About (3S)-N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine

(3S)-N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine (PubChem CID 7126529) has the molecular formula C10H10ClNO2S and a molecular weight of 243.72 g/mol. Its IUPAC name is (3S)-N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound Name(3S)-N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
PubChem CID7126529
Molecular FormulaC10H10ClNO2S
Molecular Weight243.72 g/mol
Exact Mass243.01
IUPAC Name(3S)-N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESO=S1(=O)C=C[C@H](Nc2cccc(Cl)c2)C1
InChIInChI=1S/C10H10ClNO2S/c11-8-2-1-3-9(6-8)12-10-4-5-15(13,14)7-10/h1-6,10,12H,7H2/t10-/m0/s1
InChIKeyUGUVUDMRBPYWNO-JTQLQIEISA-N
XLogP2.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 2830164
3-[[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]amino]phenol
CID 2332882
N-(3-chlorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide
CID 60693961
6-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridazin-3-amine
CID 60674953
methyl 4-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]benzoate
CID 3359332
1-(3-aminophenyl)-3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)urea
CID 102566887
N-(3-chlorophenyl)-1-methylpiperidin-4-amine
CID 13336311
4-tert-butyl-N-(3-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide
CID 43954685
3-bromo-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridin-4-amine
CID 104777130
N-(3-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-4-methoxybenzamide
CID 40505453
2-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4,5-dimethylbenzene-1,2-diamine
CID 114281268
(3-chlorophenyl)hydrazine;dihydrochloride
CID 53402731

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The IUPAC name of (3S)-N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine (CID 7126529) is (3S)-N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for (3S)-N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The canonical SMILES for (3S)-N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine is O=S1(=O)C=C[C@H](Nc2cccc(Cl)c2)C1.
What is the InChIKey of (3S)-N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The InChIKey is UGUVUDMRBPYWNO-JTQLQIEISA-N. The full InChI is InChI=1S/C10H10ClNO2S/c11-8-2-1-3-9(6-8)12-10-4-5-15(13,14)7-10/h1-6,10,12H,7H2/t10-/m0/s1.
What are the key properties of (3S)-N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
(3S)-N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine has a molecular weight of 243.72 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 7126529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).