(2S)-2-(imidazol-1-ylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-1-sulfonamide

C15H22N4O3S — CID 129490471

IUPAC(2S)-2-(imidazol-1-ylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-1-sulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)N2CCC[C@H]2Cn2ccnc2)o1
InChIInChI=1S/C15H22N4O3S/c1-13-5-6-15(22-13)11-17(2)23(20,21)19-8-3-4-14(19)10-18-9-7-16-12-18/h5-7,9,12,14H,3-4,8,10-11H2,1-2H3/t14-/m0/s1
InChIKeySWPDFVPIEZPAJS-AWEZNQCLSA-N
MW338.43 g/mol
LogP1.63
Rot. Bonds6

About (2S)-2-(imidazol-1-ylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-1-sulfonamide

(2S)-2-(imidazol-1-ylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-1-sulfonamide (PubChem CID 129490471) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is (2S)-2-(imidazol-1-ylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(2S)-2-(imidazol-1-ylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-1-sulfonamide
PubChem CID129490471
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name(2S)-2-(imidazol-1-ylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-1-sulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)N2CCC[C@H]2Cn2ccnc2)o1
InChIInChI=1S/C15H22N4O3S/c1-13-5-6-15(22-13)11-17(2)23(20,21)19-8-3-4-14(19)10-18-9-7-16-12-18/h5-7,9,12,14H,3-4,8,10-11H2,1-2H3/t14-/m0/s1
InChIKeySWPDFVPIEZPAJS-AWEZNQCLSA-N
XLogP1.63
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(imidazol-1-ylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of (2S)-2-(imidazol-1-ylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-1-sulfonamide (CID 129490471) is (2S)-2-(imidazol-1-ylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for (2S)-2-(imidazol-1-ylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for (2S)-2-(imidazol-1-ylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-1-sulfonamide is Cc1ccc(CN(C)S(=O)(=O)N2CCC[C@H]2Cn2ccnc2)o1.
What is the InChIKey of (2S)-2-(imidazol-1-ylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-1-sulfonamide?
The InChIKey is SWPDFVPIEZPAJS-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-13-5-6-15(22-13)11-17(2)23(20,21)19-8-3-4-14(19)10-18-9-7-16-12-18/h5-7,9,12,14H,3-4,8,10-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-2-(imidazol-1-ylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-1-sulfonamide?
(2S)-2-(imidazol-1-ylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-1-sulfonamide has a molecular weight of 338.43 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(imidazol-1-ylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 129490471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).