[1-(2-amino-1-thiophen-3-ylbutyl)-3-methylpyrrolidin-2-yl]methanol

C14H24N2OS — CID 102777782

IUPAC[1-(2-amino-1-thiophen-3-ylbutyl)-3-methylpyrrolidin-2-yl]methanol
SMILESCCC(N)C(c1ccsc1)N1CCC(C)C1CO
InChIInChI=1S/C14H24N2OS/c1-3-12(15)14(11-5-7-18-9-11)16-6-4-10(2)13(16)8-17/h5,7,9-10,12-14,17H,3-4,6,8,15H2,1-2H3
InChIKeyRQHQNXXIIROQGV-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.23
Rot. Bonds5

About [1-(2-amino-1-thiophen-3-ylbutyl)-3-methylpyrrolidin-2-yl]methanol

[1-(2-amino-1-thiophen-3-ylbutyl)-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102777782) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is [1-(2-amino-1-thiophen-3-ylbutyl)-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-amino-1-thiophen-3-ylbutyl)-3-methylpyrrolidin-2-yl]methanol
PubChem CID102777782
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name[1-(2-amino-1-thiophen-3-ylbutyl)-3-methylpyrrolidin-2-yl]methanol
SMILESCCC(N)C(c1ccsc1)N1CCC(C)C1CO
InChIInChI=1S/C14H24N2OS/c1-3-12(15)14(11-5-7-18-9-11)16-6-4-10(2)13(16)8-17/h5,7,9-10,12-14,17H,3-4,6,8,15H2,1-2H3
InChIKeyRQHQNXXIIROQGV-UHFFFAOYSA-N
XLogP2.23
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-1-thiophen-3-ylbutyl)-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2-amino-1-thiophen-3-ylbutyl)-3-methylpyrrolidin-2-yl]methanol (CID 102777782) is [1-(2-amino-1-thiophen-3-ylbutyl)-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2-amino-1-thiophen-3-ylbutyl)-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2-amino-1-thiophen-3-ylbutyl)-3-methylpyrrolidin-2-yl]methanol is CCC(N)C(c1ccsc1)N1CCC(C)C1CO.
What is the InChIKey of [1-(2-amino-1-thiophen-3-ylbutyl)-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is RQHQNXXIIROQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-3-12(15)14(11-5-7-18-9-11)16-6-4-10(2)13(16)8-17/h5,7,9-10,12-14,17H,3-4,6,8,15H2,1-2H3.
What are the key properties of [1-(2-amino-1-thiophen-3-ylbutyl)-3-methylpyrrolidin-2-yl]methanol?
[1-(2-amino-1-thiophen-3-ylbutyl)-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 268.43 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-1-thiophen-3-ylbutyl)-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102777782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).