(3R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-amine

C9H16N4O2S — CID 97048201

IUPAC(3R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-amine
SMILESCCn1cnc(S(=O)(=O)N2CC[C@@H](N)C2)c1
InChIInChI=1S/C9H16N4O2S/c1-2-12-6-9(11-7-12)16(14,15)13-4-3-8(10)5-13/h6-8H,2-5,10H2,1H3/t8-/m1/s1
InChIKeyAEBMSEJUIPDZDB-MRVPVSSYSA-N
MW244.32 g/mol
LogP-0.38
Rot. Bonds3

About (3R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-amine

(3R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-amine (PubChem CID 97048201) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is (3R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-amine
PubChem CID97048201
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name(3R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-amine
SMILESCCn1cnc(S(=O)(=O)N2CC[C@@H](N)C2)c1
InChIInChI=1S/C9H16N4O2S/c1-2-12-6-9(11-7-12)16(14,15)13-4-3-8(10)5-13/h6-8H,2-5,10H2,1H3/t8-/m1/s1
InChIKeyAEBMSEJUIPDZDB-MRVPVSSYSA-N
XLogP-0.38
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959743
2-[1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]ethanamine
CID 114802284
1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-ol
CID 79373473
5-(1-ethylimidazol-4-yl)sulfonyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione
CID 115917728
N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine
CID 79369875
N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-2-amine
CID 79369882
1-(1-ethylimidazol-4-yl)sulfonyl-N'-hydroxypiperidine-3-carboximidamide
CID 79373841
1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carbonitrile
CID 79373816
1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-2-amine
CID 79372688
4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid
CID 79372670
3-[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 79736699
1-(1-ethylimidazol-4-yl)sulfonyl-3-pyrrolidin-2-ylpiperidine
CID 79369669

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-amine?
The IUPAC name of (3R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-amine (CID 97048201) is (3R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-amine is CCn1cnc(S(=O)(=O)N2CC[C@@H](N)C2)c1.
What is the InChIKey of (3R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-amine?
The InChIKey is AEBMSEJUIPDZDB-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-2-12-6-9(11-7-12)16(14,15)13-4-3-8(10)5-13/h6-8H,2-5,10H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-amine?
(3R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-amine has a molecular weight of 244.32 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 97048201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).