(1-methylcyclopropyl)-[(2R)-2-methyl-5-thiophen-2-ylpiperazin-1-yl]methanone

C14H20N2OS — CID 169115683

IUPAC(1-methylcyclopropyl)-[(2R)-2-methyl-5-thiophen-2-ylpiperazin-1-yl]methanone
SMILESC[C@@H]1CNC(c2cccs2)CN1C(=O)C1(C)CC1
InChIInChI=1S/C14H20N2OS/c1-10-8-15-11(12-4-3-7-18-12)9-16(10)13(17)14(2)5-6-14/h3-4,7,10-11,15H,5-6,8-9H2,1-2H3/t10-,11?/m1/s1
InChIKeySUNJTDCXZAXJCJ-NFJWQWPMSA-N
MW264.39 g/mol
LogP2.41
Rot. Bonds2

About (1-methylcyclopropyl)-[(2R)-2-methyl-5-thiophen-2-ylpiperazin-1-yl]methanone

(1-methylcyclopropyl)-[(2R)-2-methyl-5-thiophen-2-ylpiperazin-1-yl]methanone (PubChem CID 169115683) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is (1-methylcyclopropyl)-[(2R)-2-methyl-5-thiophen-2-ylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylcyclopropyl)-[(2R)-2-methyl-5-thiophen-2-ylpiperazin-1-yl]methanone
PubChem CID169115683
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name(1-methylcyclopropyl)-[(2R)-2-methyl-5-thiophen-2-ylpiperazin-1-yl]methanone
SMILESC[C@@H]1CNC(c2cccs2)CN1C(=O)C1(C)CC1
InChIInChI=1S/C14H20N2OS/c1-10-8-15-11(12-4-3-7-18-12)9-16(10)13(17)14(2)5-6-14/h3-4,7,10-11,15H,5-6,8-9H2,1-2H3/t10-,11?/m1/s1
InChIKeySUNJTDCXZAXJCJ-NFJWQWPMSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl)-[(2R)-2-methyl-5-thiophen-2-ylpiperazin-1-yl]methanone?
The IUPAC name of (1-methylcyclopropyl)-[(2R)-2-methyl-5-thiophen-2-ylpiperazin-1-yl]methanone (CID 169115683) is (1-methylcyclopropyl)-[(2R)-2-methyl-5-thiophen-2-ylpiperazin-1-yl]methanone.
What is the SMILES notation for (1-methylcyclopropyl)-[(2R)-2-methyl-5-thiophen-2-ylpiperazin-1-yl]methanone?
The canonical SMILES for (1-methylcyclopropyl)-[(2R)-2-methyl-5-thiophen-2-ylpiperazin-1-yl]methanone is C[C@@H]1CNC(c2cccs2)CN1C(=O)C1(C)CC1.
What is the InChIKey of (1-methylcyclopropyl)-[(2R)-2-methyl-5-thiophen-2-ylpiperazin-1-yl]methanone?
The InChIKey is SUNJTDCXZAXJCJ-NFJWQWPMSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10-8-15-11(12-4-3-7-18-12)9-16(10)13(17)14(2)5-6-14/h3-4,7,10-11,15H,5-6,8-9H2,1-2H3/t10-,11?/m1/s1.
What are the key properties of (1-methylcyclopropyl)-[(2R)-2-methyl-5-thiophen-2-ylpiperazin-1-yl]methanone?
(1-methylcyclopropyl)-[(2R)-2-methyl-5-thiophen-2-ylpiperazin-1-yl]methanone has a molecular weight of 264.39 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl)-[(2R)-2-methyl-5-thiophen-2-ylpiperazin-1-yl]methanone is sourced from PubChem (CID 169115683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).