2-cyclopropyl-2-[[2-(thian-4-yl)acetyl]amino]butanamide

C14H24N2O2S — CID 166219027

IUPAC2-cyclopropyl-2-[[2-(thian-4-yl)acetyl]amino]butanamide
SMILESCCC(NC(=O)CC1CCSCC1)(C(N)=O)C1CC1
InChIInChI=1S/C14H24N2O2S/c1-2-14(13(15)18,11-3-4-11)16-12(17)9-10-5-7-19-8-6-10/h10-11H,2-9H2,1H3,(H2,15,18)(H,16,17)
InChIKeyWSNDIPRWCCOKAV-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.68
Rot. Bonds6

About 2-cyclopropyl-2-[[2-(thian-4-yl)acetyl]amino]butanamide

2-cyclopropyl-2-[[2-(thian-4-yl)acetyl]amino]butanamide (PubChem CID 166219027) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-(thian-4-yl)acetyl]amino]butanamide.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-(thian-4-yl)acetyl]amino]butanamide
PubChem CID166219027
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name2-cyclopropyl-2-[[2-(thian-4-yl)acetyl]amino]butanamide
SMILESCCC(NC(=O)CC1CCSCC1)(C(N)=O)C1CC1
InChIInChI=1S/C14H24N2O2S/c1-2-14(13(15)18,11-3-4-11)16-12(17)9-10-5-7-19-8-6-10/h10-11H,2-9H2,1H3,(H2,15,18)(H,16,17)
InChIKeyWSNDIPRWCCOKAV-UHFFFAOYSA-N
XLogP1.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-(thian-4-yl)acetyl]amino]butanamide?
The IUPAC name of 2-cyclopropyl-2-[[2-(thian-4-yl)acetyl]amino]butanamide (CID 166219027) is 2-cyclopropyl-2-[[2-(thian-4-yl)acetyl]amino]butanamide.
What is the SMILES notation for 2-cyclopropyl-2-[[2-(thian-4-yl)acetyl]amino]butanamide?
The canonical SMILES for 2-cyclopropyl-2-[[2-(thian-4-yl)acetyl]amino]butanamide is CCC(NC(=O)CC1CCSCC1)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[2-(thian-4-yl)acetyl]amino]butanamide?
The InChIKey is WSNDIPRWCCOKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-2-14(13(15)18,11-3-4-11)16-12(17)9-10-5-7-19-8-6-10/h10-11H,2-9H2,1H3,(H2,15,18)(H,16,17).
What are the key properties of 2-cyclopropyl-2-[[2-(thian-4-yl)acetyl]amino]butanamide?
2-cyclopropyl-2-[[2-(thian-4-yl)acetyl]amino]butanamide has a molecular weight of 284.43 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-(thian-4-yl)acetyl]amino]butanamide is sourced from PubChem (CID 166219027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).