2-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamine;hydrochloride

C12H19ClN2O2S — CID 53229799

IUPAC2-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamine;hydrochloride
SMILESCl.NCCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C12H18N2O2S.ClH/c13-8-7-11-3-5-12(6-4-11)17(15,16)14-9-1-2-10-14;/h3-6H,1-2,7-10,13H2;1H
InChIKeyJVVDJPBHXFTCSN-UHFFFAOYSA-N
MW290.82 g/mol
LogP1.39
Rot. Bonds4

About 2-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamine;hydrochloride

2-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamine;hydrochloride (PubChem CID 53229799) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 2-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamine;hydrochloride
PubChem CID53229799
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name2-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamine;hydrochloride
SMILESCl.NCCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C12H18N2O2S.ClH/c13-8-7-11-3-5-12(6-4-11)17(15,16)14-9-1-2-10-14;/h3-6H,1-2,7-10,13H2;1H
InChIKeyJVVDJPBHXFTCSN-UHFFFAOYSA-N
XLogP1.39
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[3-(4-piperidin-1-ylsulfonylphenyl)propyl]phenyl]sulfonylpiperidine
CID 124779418
N-(3-aminopropyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119405466
2-[1-[4-(2-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol
CID 107227334
sodium 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 23692705
2-[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)phenyl]ethanamine
CID 82752347
1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
CID 778269
2-(4-piperidin-1-ylsulfonylphenyl)ethanethioamide
CID 79186250
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9271161
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;hydrochloride
CID 119631998
2-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine
CID 63621930
7-amino-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]heptanamide;hydrochloride
CID 119690920
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one
CID 119483885

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamine;hydrochloride?
The IUPAC name of 2-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamine;hydrochloride (CID 53229799) is 2-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamine;hydrochloride is Cl.NCCc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamine;hydrochloride?
The InChIKey is JVVDJPBHXFTCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S.ClH/c13-8-7-11-3-5-12(6-4-11)17(15,16)14-9-1-2-10-14;/h3-6H,1-2,7-10,13H2;1H.
What are the key properties of 2-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamine;hydrochloride?
2-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamine;hydrochloride has a molecular weight of 290.82 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 53229799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).