(3-amino-4-propan-2-yloxy-5-pyrrolidin-1-ylthiophen-2-yl)-cyclopropylmethanone

C15H22N2O2S — CID 103418958

IUPAC(3-amino-4-propan-2-yloxy-5-pyrrolidin-1-ylthiophen-2-yl)-cyclopropylmethanone
SMILESCC(C)Oc1c(N2CCCC2)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C15H22N2O2S/c1-9(2)19-13-11(16)14(12(18)10-5-6-10)20-15(13)17-7-3-4-8-17/h9-10H,3-8,16H2,1-2H3
InChIKeyOCVHTDFKJKDHAP-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.31
Rot. Bonds5

About (3-amino-4-propan-2-yloxy-5-pyrrolidin-1-ylthiophen-2-yl)-cyclopropylmethanone

(3-amino-4-propan-2-yloxy-5-pyrrolidin-1-ylthiophen-2-yl)-cyclopropylmethanone (PubChem CID 103418958) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is (3-amino-4-propan-2-yloxy-5-pyrrolidin-1-ylthiophen-2-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(3-amino-4-propan-2-yloxy-5-pyrrolidin-1-ylthiophen-2-yl)-cyclopropylmethanone
PubChem CID103418958
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name(3-amino-4-propan-2-yloxy-5-pyrrolidin-1-ylthiophen-2-yl)-cyclopropylmethanone
SMILESCC(C)Oc1c(N2CCCC2)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C15H22N2O2S/c1-9(2)19-13-11(16)14(12(18)10-5-6-10)20-15(13)17-7-3-4-8-17/h9-10H,3-8,16H2,1-2H3
InChIKeyOCVHTDFKJKDHAP-UHFFFAOYSA-N
XLogP3.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-propan-2-yloxy-5-pyrrolidin-1-ylthiophen-2-yl)-cyclopropylmethanone?
The IUPAC name of (3-amino-4-propan-2-yloxy-5-pyrrolidin-1-ylthiophen-2-yl)-cyclopropylmethanone (CID 103418958) is (3-amino-4-propan-2-yloxy-5-pyrrolidin-1-ylthiophen-2-yl)-cyclopropylmethanone.
What is the SMILES notation for (3-amino-4-propan-2-yloxy-5-pyrrolidin-1-ylthiophen-2-yl)-cyclopropylmethanone?
The canonical SMILES for (3-amino-4-propan-2-yloxy-5-pyrrolidin-1-ylthiophen-2-yl)-cyclopropylmethanone is CC(C)Oc1c(N2CCCC2)sc(C(=O)C2CC2)c1N.
What is the InChIKey of (3-amino-4-propan-2-yloxy-5-pyrrolidin-1-ylthiophen-2-yl)-cyclopropylmethanone?
The InChIKey is OCVHTDFKJKDHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-9(2)19-13-11(16)14(12(18)10-5-6-10)20-15(13)17-7-3-4-8-17/h9-10H,3-8,16H2,1-2H3.
What are the key properties of (3-amino-4-propan-2-yloxy-5-pyrrolidin-1-ylthiophen-2-yl)-cyclopropylmethanone?
(3-amino-4-propan-2-yloxy-5-pyrrolidin-1-ylthiophen-2-yl)-cyclopropylmethanone has a molecular weight of 294.42 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-propan-2-yloxy-5-pyrrolidin-1-ylthiophen-2-yl)-cyclopropylmethanone is sourced from PubChem (CID 103418958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).