(3R)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride

C8H11Cl3N2O2S2 — CID 119962586

IUPAC(3R)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)C1
InChIInChI=1S/C8H10Cl2N2O2S2.ClH/c9-7-3-6(8(10)15-7)16(13,14)12-2-1-5(11)4-12;/h3,5H,1-2,4,11H2;1H/t5-;/m1./s1
InChIKeyNHFOLTBXZGNXPB-NUBCRITNSA-N
MW337.68 g/mol
LogP2.20
Rot. Bonds2

About (3R)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride

(3R)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 119962586) has the molecular formula C8H11Cl3N2O2S2 and a molecular weight of 337.68 g/mol. Its IUPAC name is (3R)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID119962586
Molecular FormulaC8H11Cl3N2O2S2
Molecular Weight337.68 g/mol
Exact Mass335.93
IUPAC Name(3R)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)C1
InChIInChI=1S/C8H10Cl2N2O2S2.ClH/c9-7-3-6(8(10)15-7)16(13,14)12-2-1-5(11)4-12;/h3,5H,1-2,4,11H2;1H/t5-;/m1./s1
InChIKeyNHFOLTBXZGNXPB-NUBCRITNSA-N
XLogP2.20
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.68
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methanamine
CID 43605263
4-(bromomethyl)-1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidine
CID 80670130
1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-ol
CID 43502793
(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 103100505
1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidine
CID 2805365
2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718381
N-[[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine
CID 63853195
1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine;hydrochloride
CID 46743477
1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 120894023
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971677
(3R)-1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962659
1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971709

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride (CID 119962586) is (3R)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride is Cl.N[C@@H]1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)C1.
What is the InChIKey of (3R)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is NHFOLTBXZGNXPB-NUBCRITNSA-N. The full InChI is InChI=1S/C8H10Cl2N2O2S2.ClH/c9-7-3-6(8(10)15-7)16(13,14)12-2-1-5(11)4-12;/h3,5H,1-2,4,11H2;1H/t5-;/m1./s1.
What are the key properties of (3R)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride?
(3R)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 337.68 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119962586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).