(3R)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)pyrrolidin-3-amine;hydrochloride

C10H17ClN4O2S — CID 120874470

IUPAC(3R)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)pyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCN(S(=O)(=O)c2cnc3n2CCC3)C1
InChIInChI=1S/C10H16N4O2S.ClH/c11-8-3-5-13(7-8)17(15,16)10-6-12-9-2-1-4-14(9)10;/h6,8H,1-5,7,11H2;1H/t8-;/m1./s1
InChIKeyICSCNGWWQGYNAI-DDWIOCJRSA-N
MW292.79 g/mol
LogP-0.03
Rot. Bonds2

About (3R)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)pyrrolidin-3-amine;hydrochloride

(3R)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)pyrrolidin-3-amine;hydrochloride (PubChem CID 120874470) has the molecular formula C10H17ClN4O2S and a molecular weight of 292.79 g/mol. Its IUPAC name is (3R)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)pyrrolidin-3-amine;hydrochloride
PubChem CID120874470
Molecular FormulaC10H17ClN4O2S
Molecular Weight292.79 g/mol
Exact Mass292.08
IUPAC Name(3R)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)pyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCN(S(=O)(=O)c2cnc3n2CCC3)C1
InChIInChI=1S/C10H16N4O2S.ClH/c11-8-3-5-13(7-8)17(15,16)10-6-12-9-2-1-4-14(9)10;/h6,8H,1-5,7,11H2;1H/t8-;/m1./s1
InChIKeyICSCNGWWQGYNAI-DDWIOCJRSA-N
XLogP-0.03
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)piperidin-3-yl]piperazin-2-one
CID 124880693
1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708376
(2S)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)piperidine-2-carboxylic acid
CID 129466930
(2R)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)piperidine-2-carboxylic acid
CID 129466929
1-pyridin-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 91660222
2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1,2-oxazolidine
CID 127914100
(3R)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962436
5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonic acid
CID 75539559
(3R)-1-(3,4,5-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962846
(3R)-1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962604
(3S)-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine;hydrochloride
CID 119999942
(3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine
CID 115301718

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)pyrrolidin-3-amine;hydrochloride (CID 120874470) is (3R)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)pyrrolidin-3-amine;hydrochloride is Cl.N[C@@H]1CCN(S(=O)(=O)c2cnc3n2CCC3)C1.
What is the InChIKey of (3R)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)pyrrolidin-3-amine;hydrochloride?
The InChIKey is ICSCNGWWQGYNAI-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H16N4O2S.ClH/c11-8-3-5-13(7-8)17(15,16)10-6-12-9-2-1-4-14(9)10;/h6,8H,1-5,7,11H2;1H/t8-;/m1./s1.
What are the key properties of (3R)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)pyrrolidin-3-amine;hydrochloride?
(3R)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)pyrrolidin-3-amine;hydrochloride has a molecular weight of 292.79 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120874470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).