N-(1-amino-1-sulfanylidenepentan-2-yl)-3,3-difluorocyclopentane-1-carboxamide

C11H18F2N2OS — CID 114226304

IUPACN-(1-amino-1-sulfanylidenepentan-2-yl)-3,3-difluorocyclopentane-1-carboxamide
SMILESCCCC(NC(=O)C1CCC(F)(F)C1)C(N)=S
InChIInChI=1S/C11H18F2N2OS/c1-2-3-8(9(14)17)15-10(16)7-4-5-11(12,13)6-7/h7-8H,2-6H2,1H3,(H2,14,17)(H,15,16)
InChIKeyIZYQDLHZFGDTDV-UHFFFAOYSA-N
MW264.34 g/mol
LogP1.99
Rot. Bonds5

About N-(1-amino-1-sulfanylidenepentan-2-yl)-3,3-difluorocyclopentane-1-carboxamide

N-(1-amino-1-sulfanylidenepentan-2-yl)-3,3-difluorocyclopentane-1-carboxamide (PubChem CID 114226304) has the molecular formula C11H18F2N2OS and a molecular weight of 264.34 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepentan-2-yl)-3,3-difluorocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepentan-2-yl)-3,3-difluorocyclopentane-1-carboxamide
PubChem CID114226304
Molecular FormulaC11H18F2N2OS
Molecular Weight264.34 g/mol
Exact Mass264.11
IUPAC NameN-(1-amino-1-sulfanylidenepentan-2-yl)-3,3-difluorocyclopentane-1-carboxamide
SMILESCCCC(NC(=O)C1CCC(F)(F)C1)C(N)=S
InChIInChI=1S/C11H18F2N2OS/c1-2-3-8(9(14)17)15-10(16)7-4-5-11(12,13)6-7/h7-8H,2-6H2,1H3,(H2,14,17)(H,15,16)
InChIKeyIZYQDLHZFGDTDV-UHFFFAOYSA-N
XLogP1.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenepentan-2-yl)-3,3-difluorocyclopentane-1-carboxamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepentan-2-yl)-3,3-difluorocyclopentane-1-carboxamide (CID 114226304) is N-(1-amino-1-sulfanylidenepentan-2-yl)-3,3-difluorocyclopentane-1-carboxamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepentan-2-yl)-3,3-difluorocyclopentane-1-carboxamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepentan-2-yl)-3,3-difluorocyclopentane-1-carboxamide is CCCC(NC(=O)C1CCC(F)(F)C1)C(N)=S.
What is the InChIKey of N-(1-amino-1-sulfanylidenepentan-2-yl)-3,3-difluorocyclopentane-1-carboxamide?
The InChIKey is IZYQDLHZFGDTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2OS/c1-2-3-8(9(14)17)15-10(16)7-4-5-11(12,13)6-7/h7-8H,2-6H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of N-(1-amino-1-sulfanylidenepentan-2-yl)-3,3-difluorocyclopentane-1-carboxamide?
N-(1-amino-1-sulfanylidenepentan-2-yl)-3,3-difluorocyclopentane-1-carboxamide has a molecular weight of 264.34 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenepentan-2-yl)-3,3-difluorocyclopentane-1-carboxamide is sourced from PubChem (CID 114226304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).