N-(3-amino-2,2-difluoropropyl)-2-(thian-4-yl)acetamide

C10H18F2N2OS — CID 114383379

IUPACN-(3-amino-2,2-difluoropropyl)-2-(thian-4-yl)acetamide
SMILESNCC(F)(F)CNC(=O)CC1CCSCC1
InChIInChI=1S/C10H18F2N2OS/c11-10(12,6-13)7-14-9(15)5-8-1-3-16-4-2-8/h8H,1-7,13H2,(H,14,15)
InChIKeyOQVUSXLRDBPSPO-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.23
Rot. Bonds5

About N-(3-amino-2,2-difluoropropyl)-2-(thian-4-yl)acetamide

N-(3-amino-2,2-difluoropropyl)-2-(thian-4-yl)acetamide (PubChem CID 114383379) has the molecular formula C10H18F2N2OS and a molecular weight of 252.33 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-2-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-2-(thian-4-yl)acetamide
PubChem CID114383379
Molecular FormulaC10H18F2N2OS
Molecular Weight252.33 g/mol
Exact Mass252.11
IUPAC NameN-(3-amino-2,2-difluoropropyl)-2-(thian-4-yl)acetamide
SMILESNCC(F)(F)CNC(=O)CC1CCSCC1
InChIInChI=1S/C10H18F2N2OS/c11-10(12,6-13)7-14-9(15)5-8-1-3-16-4-2-8/h8H,1-7,13H2,(H,14,15)
InChIKeyOQVUSXLRDBPSPO-UHFFFAOYSA-N
XLogP1.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-(thian-4-yl)acetamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-(thian-4-yl)acetamide (CID 114383379) is N-(3-amino-2,2-difluoropropyl)-2-(thian-4-yl)acetamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-2-(thian-4-yl)acetamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-2-(thian-4-yl)acetamide is NCC(F)(F)CNC(=O)CC1CCSCC1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-2-(thian-4-yl)acetamide?
The InChIKey is OQVUSXLRDBPSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2OS/c11-10(12,6-13)7-14-9(15)5-8-1-3-16-4-2-8/h8H,1-7,13H2,(H,14,15).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-2-(thian-4-yl)acetamide?
N-(3-amino-2,2-difluoropropyl)-2-(thian-4-yl)acetamide has a molecular weight of 252.33 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-2-(thian-4-yl)acetamide is sourced from PubChem (CID 114383379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).