2,2-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide

C11H20N2O2S — CID 106280359

IUPAC2,2-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide
SMILESCC(C)(CNC(=O)CC1(CS)CC1)C(N)=O
InChIInChI=1S/C11H20N2O2S/c1-10(2,9(12)15)6-13-8(14)5-11(7-16)3-4-11/h16H,3-7H2,1-2H3,(H2,12,15)(H,13,14)
InChIKeyWNNFPSXLOLZJLE-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.71
Rot. Bonds6

About 2,2-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide

2,2-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide (PubChem CID 106280359) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide
PubChem CID106280359
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name2,2-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide
SMILESCC(C)(CNC(=O)CC1(CS)CC1)C(N)=O
InChIInChI=1S/C11H20N2O2S/c1-10(2,9(12)15)6-13-8(14)5-11(7-16)3-4-11/h16H,3-7H2,1-2H3,(H2,12,15)(H,13,14)
InChIKeyWNNFPSXLOLZJLE-UHFFFAOYSA-N
XLogP0.71
TPSA72.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide?
The IUPAC name of 2,2-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide (CID 106280359) is 2,2-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide?
The canonical SMILES for 2,2-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide is CC(C)(CNC(=O)CC1(CS)CC1)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide?
The InChIKey is WNNFPSXLOLZJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-10(2,9(12)15)6-13-8(14)5-11(7-16)3-4-11/h16H,3-7H2,1-2H3,(H2,12,15)(H,13,14).
What are the key properties of 2,2-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide?
2,2-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide has a molecular weight of 244.36 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide is sourced from PubChem (CID 106280359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).