2-pyrrolidin-1-ylsulfonylethanamine;hydrochloride

C6H15ClN2O2S — CID 45074879

IUPAC2-pyrrolidin-1-ylsulfonylethanamine;hydrochloride
SMILESCl.NCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C6H14N2O2S.ClH/c7-3-6-11(9,10)8-4-1-2-5-8;/h1-7H2;1H
InChIKeyFSRSXSMTNVHNLS-UHFFFAOYSA-N
MW214.72 g/mol
LogP-0.21
Rot. Bonds3

About 2-pyrrolidin-1-ylsulfonylethanamine;hydrochloride

2-pyrrolidin-1-ylsulfonylethanamine;hydrochloride (PubChem CID 45074879) has the molecular formula C6H15ClN2O2S and a molecular weight of 214.72 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylsulfonylethanamine;hydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-1-ylsulfonylethanamine;hydrochloride
PubChem CID45074879
Molecular FormulaC6H15ClN2O2S
Molecular Weight214.72 g/mol
Exact Mass214.05
IUPAC Name2-pyrrolidin-1-ylsulfonylethanamine;hydrochloride
SMILESCl.NCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C6H14N2O2S.ClH/c7-3-6-11(9,10)8-4-1-2-5-8;/h1-7H2;1H
InChIKeyFSRSXSMTNVHNLS-UHFFFAOYSA-N
XLogP-0.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrrolidine-3-sulfonamide
CID 45792639
2-(2-Aminoethyl)-1lambda6,2-thiazolidine-1,1-dione hydrochloride
CID 47002542
[(2S)-pyrrolidin-2-yl]methanesulfonamide
CID 52326752
2-(2-(Methylamino)ethyl)-1lambda6,2-thiazolidine-1,1-dione
CID 56828150
(Pyrrolidin-3-yl)methanesulfonamide hydrochloride
CID 68902073
(Pyrrolidin-2-yl)methanesulfonamide hydrochloride
CID 132371509
Pyrrolidine-3-sulfonamide hydrochloride
CID 155858501
Pyrrolidin-3-yl-methanesulfonic acid
CID 125605
2-(Pyrrolidin-1-ylsulfonyl)ethanamine
CID 1133629
Pyrrolidin-2-ylmethanesulfonamide
CID 54593028
2-(3-Aminopropyl)-1lambda6,2-thiazolidine-1,1-dione
CID 43619976
N-ethylpyrrolidine-3-sulfonamide
CID 65419394

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylsulfonylethanamine;hydrochloride?
The IUPAC name of 2-pyrrolidin-1-ylsulfonylethanamine;hydrochloride (CID 45074879) is 2-pyrrolidin-1-ylsulfonylethanamine;hydrochloride.
What is the SMILES notation for 2-pyrrolidin-1-ylsulfonylethanamine;hydrochloride?
The canonical SMILES for 2-pyrrolidin-1-ylsulfonylethanamine;hydrochloride is Cl.NCCS(=O)(=O)N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylsulfonylethanamine;hydrochloride?
The InChIKey is FSRSXSMTNVHNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S.ClH/c7-3-6-11(9,10)8-4-1-2-5-8;/h1-7H2;1H.
What are the key properties of 2-pyrrolidin-1-ylsulfonylethanamine;hydrochloride?
2-pyrrolidin-1-ylsulfonylethanamine;hydrochloride has a molecular weight of 214.72 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylsulfonylethanamine;hydrochloride is sourced from PubChem (CID 45074879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).