(1S)-2,2-difluoro-N-[(1S)-1-methylsulfanylethyl]cyclopropane-1-carboxamide

C7H11F2NOS — CID 167136625

IUPAC(1S)-2,2-difluoro-N-[(1S)-1-methylsulfanylethyl]cyclopropane-1-carboxamide
SMILESCS[C@@H](C)NC(=O)[C@@H]1CC1(F)F
InChIInChI=1S/C7H11F2NOS/c1-4(12-2)10-6(11)5-3-7(5,8)9/h4-5H,3H2,1-2H3,(H,10,11)/t4-,5-/m0/s1
InChIKeyXZGVNKDAOOUXFU-WHFBIAKZSA-N
MW195.23 g/mol
LogP1.47
Rot. Bonds3

About (1S)-2,2-difluoro-N-[(1S)-1-methylsulfanylethyl]cyclopropane-1-carboxamide

(1S)-2,2-difluoro-N-[(1S)-1-methylsulfanylethyl]cyclopropane-1-carboxamide (PubChem CID 167136625) has the molecular formula C7H11F2NOS and a molecular weight of 195.23 g/mol. Its IUPAC name is (1S)-2,2-difluoro-N-[(1S)-1-methylsulfanylethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-difluoro-N-[(1S)-1-methylsulfanylethyl]cyclopropane-1-carboxamide
PubChem CID167136625
Molecular FormulaC7H11F2NOS
Molecular Weight195.23 g/mol
Exact Mass195.05
IUPAC Name(1S)-2,2-difluoro-N-[(1S)-1-methylsulfanylethyl]cyclopropane-1-carboxamide
SMILESCS[C@@H](C)NC(=O)[C@@H]1CC1(F)F
InChIInChI=1S/C7H11F2NOS/c1-4(12-2)10-6(11)5-3-7(5,8)9/h4-5H,3H2,1-2H3,(H,10,11)/t4-,5-/m0/s1
InChIKeyXZGVNKDAOOUXFU-WHFBIAKZSA-N
XLogP1.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-difluoro-N-[(1S)-1-methylsulfanylethyl]cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-difluoro-N-[(1S)-1-methylsulfanylethyl]cyclopropane-1-carboxamide (CID 167136625) is (1S)-2,2-difluoro-N-[(1S)-1-methylsulfanylethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-difluoro-N-[(1S)-1-methylsulfanylethyl]cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-difluoro-N-[(1S)-1-methylsulfanylethyl]cyclopropane-1-carboxamide is CS[C@@H](C)NC(=O)[C@@H]1CC1(F)F.
What is the InChIKey of (1S)-2,2-difluoro-N-[(1S)-1-methylsulfanylethyl]cyclopropane-1-carboxamide?
The InChIKey is XZGVNKDAOOUXFU-WHFBIAKZSA-N. The full InChI is InChI=1S/C7H11F2NOS/c1-4(12-2)10-6(11)5-3-7(5,8)9/h4-5H,3H2,1-2H3,(H,10,11)/t4-,5-/m0/s1.
What are the key properties of (1S)-2,2-difluoro-N-[(1S)-1-methylsulfanylethyl]cyclopropane-1-carboxamide?
(1S)-2,2-difluoro-N-[(1S)-1-methylsulfanylethyl]cyclopropane-1-carboxamide has a molecular weight of 195.23 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-difluoro-N-[(1S)-1-methylsulfanylethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 167136625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).