N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

C16H26N2O2S — CID 110921437

IUPACN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESCC(C)(C)C(NC(=O)CN1CCC[C@@H]1CO)c1cccs1
InChIInChI=1S/C16H26N2O2S/c1-16(2,3)15(13-7-5-9-21-13)17-14(20)10-18-8-4-6-12(18)11-19/h5,7,9,12,15,19H,4,6,8,10-11H2,1-3H3,(H,17,20)/t12-,15?/m1/s1
InChIKeyMFNYDNHNAGBHQW-KEKZHRQWSA-N
MW310.46 g/mol
LogP2.41
Rot. Bonds5

About N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (PubChem CID 110921437) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
PubChem CID110921437
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESCC(C)(C)C(NC(=O)CN1CCC[C@@H]1CO)c1cccs1
InChIInChI=1S/C16H26N2O2S/c1-16(2,3)15(13-7-5-9-21-13)17-14(20)10-18-8-4-6-12(18)11-19/h5,7,9,12,15,19H,4,6,8,10-11H2,1-3H3,(H,17,20)/t12-,15?/m1/s1
InChIKeyMFNYDNHNAGBHQW-KEKZHRQWSA-N
XLogP2.41
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (CID 110921437) is N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is CC(C)(C)C(NC(=O)CN1CCC[C@@H]1CO)c1cccs1.
What is the InChIKey of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is MFNYDNHNAGBHQW-KEKZHRQWSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-16(2,3)15(13-7-5-9-21-13)17-14(20)10-18-8-4-6-12(18)11-19/h5,7,9,12,15,19H,4,6,8,10-11H2,1-3H3,(H,17,20)/t12-,15?/m1/s1.
What are the key properties of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 310.46 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 110921437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).