[1-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol

C16H23N3O3S2 — CID 128999194

IUPAC[1-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol
SMILESCC(C)Cn1cnc(S(=O)(=O)N2CC(CO)C(c3ccsc3)C2)c1
InChIInChI=1S/C16H23N3O3S2/c1-12(2)5-18-8-16(17-11-18)24(21,22)19-6-14(9-20)15(7-19)13-3-4-23-10-13/h3-4,8,10-12,14-15,20H,5-7,9H2,1-2H3
InChIKeyPKSKPLMSGGJGET-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.00
Rot. Bonds6

About [1-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol

[1-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol (PubChem CID 128999194) has the molecular formula C16H23N3O3S2 and a molecular weight of 369.51 g/mol. Its IUPAC name is [1-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol
PubChem CID128999194
Molecular FormulaC16H23N3O3S2
Molecular Weight369.51 g/mol
Exact Mass369.12
IUPAC Name[1-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol
SMILESCC(C)Cn1cnc(S(=O)(=O)N2CC(CO)C(c3ccsc3)C2)c1
InChIInChI=1S/C16H23N3O3S2/c1-12(2)5-18-8-16(17-11-18)24(21,22)19-6-14(9-20)15(7-19)13-3-4-23-10-13/h3-4,8,10-12,14-15,20H,5-7,9H2,1-2H3
InChIKeyPKSKPLMSGGJGET-UHFFFAOYSA-N
XLogP2.00
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
The IUPAC name of [1-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol (CID 128999194) is [1-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol is CC(C)Cn1cnc(S(=O)(=O)N2CC(CO)C(c3ccsc3)C2)c1.
What is the InChIKey of [1-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
The InChIKey is PKSKPLMSGGJGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S2/c1-12(2)5-18-8-16(17-11-18)24(21,22)19-6-14(9-20)15(7-19)13-3-4-23-10-13/h3-4,8,10-12,14-15,20H,5-7,9H2,1-2H3.
What are the key properties of [1-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
[1-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol has a molecular weight of 369.51 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 128999194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).