(3R,4S)-4-cyclopropyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine

C11H18N4O2S — CID 72841492

IUPAC(3R,4S)-4-cyclopropyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine
SMILESCn1cnc(S(=O)(=O)N2C[C@H](C3CC3)[C@@H](N)C2)c1
InChIInChI=1S/C11H18N4O2S/c1-14-6-11(13-7-14)18(16,17)15-4-9(8-2-3-8)10(12)5-15/h6-10H,2-5,12H2,1H3/t9-,10+/m1/s1
InChIKeyYBXBEVLSWIWRNH-ZJUUUORDSA-N
MW270.36 g/mol
LogP-0.22
Rot. Bonds3

About (3R,4S)-4-cyclopropyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine

(3R,4S)-4-cyclopropyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine (PubChem CID 72841492) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is (3R,4S)-4-cyclopropyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-cyclopropyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine
PubChem CID72841492
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name(3R,4S)-4-cyclopropyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine
SMILESCn1cnc(S(=O)(=O)N2C[C@H](C3CC3)[C@@H](N)C2)c1
InChIInChI=1S/C11H18N4O2S/c1-14-6-11(13-7-14)18(16,17)15-4-9(8-2-3-8)10(12)5-15/h6-10H,2-5,12H2,1H3/t9-,10+/m1/s1
InChIKeyYBXBEVLSWIWRNH-ZJUUUORDSA-N
XLogP-0.22
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-cyclopropyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine?
The IUPAC name of (3R,4S)-4-cyclopropyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine (CID 72841492) is (3R,4S)-4-cyclopropyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-4-cyclopropyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-4-cyclopropyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine is Cn1cnc(S(=O)(=O)N2C[C@H](C3CC3)[C@@H](N)C2)c1.
What is the InChIKey of (3R,4S)-4-cyclopropyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine?
The InChIKey is YBXBEVLSWIWRNH-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-14-6-11(13-7-14)18(16,17)15-4-9(8-2-3-8)10(12)5-15/h6-10H,2-5,12H2,1H3/t9-,10+/m1/s1.
What are the key properties of (3R,4S)-4-cyclopropyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine?
(3R,4S)-4-cyclopropyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine has a molecular weight of 270.36 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-cyclopropyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 72841492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).