(3S)-1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine

C10H12Cl2N2O2S — CID 94340426

IUPAC(3S)-1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine
SMILESN[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C10H12Cl2N2O2S/c11-8-2-1-3-9(12)10(8)17(15,16)14-5-4-7(13)6-14/h1-3,7H,4-6,13H2/t7-/m0/s1
InChIKeyCFIHXTPQOWCQIP-ZETCQYMHSA-N
MW295.19 g/mol
LogP1.72
Rot. Bonds2

About (3S)-1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine

(3S)-1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine (PubChem CID 94340426) has the molecular formula C10H12Cl2N2O2S and a molecular weight of 295.19 g/mol. Its IUPAC name is (3S)-1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine
PubChem CID94340426
Molecular FormulaC10H12Cl2N2O2S
Molecular Weight295.19 g/mol
Exact Mass294.00
IUPAC Name(3S)-1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine
SMILESN[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C10H12Cl2N2O2S/c11-8-2-1-3-9(12)10(8)17(15,16)14-5-4-7(13)6-14/h1-3,7H,4-6,13H2/t7-/m0/s1
InChIKeyCFIHXTPQOWCQIP-ZETCQYMHSA-N
XLogP1.72
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971606
(3R)-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-3-amine
CID 115301799
1-(2-bromo-6-chlorophenyl)sulfonylpiperidin-3-amine
CID 120998816
(3R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 94340393
(3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993401
1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971605
(3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993468
1-(2,6-dichlorophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90586568
1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine
CID 55029986
1-(2-chlorophenyl)sulfonylpiperidin-3-amine
CID 43123365
(3R)-1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962604
1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959822

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine (CID 94340426) is (3S)-1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine is N[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)C1.
What is the InChIKey of (3S)-1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine?
The InChIKey is CFIHXTPQOWCQIP-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2S/c11-8-2-1-3-9(12)10(8)17(15,16)14-5-4-7(13)6-14/h1-3,7H,4-6,13H2/t7-/m0/s1.
What are the key properties of (3S)-1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine?
(3S)-1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine has a molecular weight of 295.19 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 94340426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).