[1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride

C9H15ClN2O3S — CID 120875357

IUPAC[1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN1S(=O)(=O)c1ccco1
InChIInChI=1S/C9H14N2O3S.ClH/c10-7-8-3-1-5-11(8)15(12,13)9-4-2-6-14-9;/h2,4,6,8H,1,3,5,7,10H2;1H
InChIKeyGMVUPMKRDXLDSI-UHFFFAOYSA-N
MW266.75 g/mol
LogP0.81
Rot. Bonds3

About [1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride

[1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 120875357) has the molecular formula C9H15ClN2O3S and a molecular weight of 266.75 g/mol. Its IUPAC name is [1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID120875357
Molecular FormulaC9H15ClN2O3S
Molecular Weight266.75 g/mol
Exact Mass266.05
IUPAC Name[1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN1S(=O)(=O)c1ccco1
InChIInChI=1S/C9H14N2O3S.ClH/c10-7-8-3-1-5-11(8)15(12,13)9-4-2-6-14-9;/h2,4,6,8H,1,3,5,7,10H2;1H
InChIKeyGMVUPMKRDXLDSI-UHFFFAOYSA-N
XLogP0.81
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(furan-2-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride
CID 120874730
[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988752
[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988815
(1S)-2-[(2R)-1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol
CID 124728531
[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988893
[1-(4-morpholin-4-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988531
[1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 120711693
[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988891
[1-(2-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 119988617
[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 86814097
[1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 119988934
[1-(2,4,5-trifluorophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988783

Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride (CID 120875357) is [1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride is Cl.NCC1CCCN1S(=O)(=O)c1ccco1.
What is the InChIKey of [1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is GMVUPMKRDXLDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S.ClH/c10-7-8-3-1-5-11(8)15(12,13)9-4-2-6-14-9;/h2,4,6,8H,1,3,5,7,10H2;1H.
What are the key properties of [1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride?
[1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 266.75 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120875357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).