[2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methanamine;hydrochloride

C12H19ClN2O2S — CID 71757230

IUPAC[2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccccc1CS(=O)(=O)N1CCCC1
InChIInChI=1S/C12H18N2O2S.ClH/c13-9-11-5-1-2-6-12(11)10-17(15,16)14-7-3-4-8-14;/h1-2,5-6H,3-4,7-10,13H2;1H
InChIKeyZHCNUQBLGPEJHN-UHFFFAOYSA-N
MW290.82 g/mol
LogP1.49
Rot. Bonds4

About [2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methanamine;hydrochloride

[2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methanamine;hydrochloride (PubChem CID 71757230) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is [2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methanamine;hydrochloride
PubChem CID71757230
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name[2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccccc1CS(=O)(=O)N1CCCC1
InChIInChI=1S/C12H18N2O2S.ClH/c13-9-11-5-1-2-6-12(11)10-17(15,16)14-7-3-4-8-14;/h1-2,5-6H,3-4,7-10,13H2;1H
InChIKeyZHCNUQBLGPEJHN-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methanamine;hydrochloride?
The IUPAC name of [2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methanamine;hydrochloride (CID 71757230) is [2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methanamine;hydrochloride is Cl.NCc1ccccc1CS(=O)(=O)N1CCCC1.
What is the InChIKey of [2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methanamine;hydrochloride?
The InChIKey is ZHCNUQBLGPEJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S.ClH/c13-9-11-5-1-2-6-12(11)10-17(15,16)14-7-3-4-8-14;/h1-2,5-6H,3-4,7-10,13H2;1H.
What are the key properties of [2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methanamine;hydrochloride?
[2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methanamine;hydrochloride has a molecular weight of 290.82 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 71757230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).