N-[2-(3,3-difluorocyclobutyl)ethyl]methanesulfinothioamide

C7H13F2NS2 — CID 155346496

IUPACN-[2-(3,3-difluorocyclobutyl)ethyl]methanesulfinothioamide
SMILESCS(=S)NCCC1CC(F)(F)C1
InChIInChI=1S/C7H13F2NS2/c1-12(11)10-3-2-6-4-7(8,9)5-6/h6,10H,2-5H2,1H3
InChIKeyMWNOSGIBTRZNFV-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.64
Rot. Bonds4

About N-[2-(3,3-difluorocyclobutyl)ethyl]methanesulfinothioamide

N-[2-(3,3-difluorocyclobutyl)ethyl]methanesulfinothioamide (PubChem CID 155346496) has the molecular formula C7H13F2NS2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[2-(3,3-difluorocyclobutyl)ethyl]methanesulfinothioamide.

Molecular Properties

Compound NameN-[2-(3,3-difluorocyclobutyl)ethyl]methanesulfinothioamide
PubChem CID155346496
Molecular FormulaC7H13F2NS2
Molecular Weight213.32 g/mol
Exact Mass213.05
IUPAC NameN-[2-(3,3-difluorocyclobutyl)ethyl]methanesulfinothioamide
SMILESCS(=S)NCCC1CC(F)(F)C1
InChIInChI=1S/C7H13F2NS2/c1-12(11)10-3-2-6-4-7(8,9)5-6/h6,10H,2-5H2,1H3
InChIKeyMWNOSGIBTRZNFV-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-difluorocyclobutyl)ethyl]methanesulfinothioamide?
The IUPAC name of N-[2-(3,3-difluorocyclobutyl)ethyl]methanesulfinothioamide (CID 155346496) is N-[2-(3,3-difluorocyclobutyl)ethyl]methanesulfinothioamide.
What is the SMILES notation for N-[2-(3,3-difluorocyclobutyl)ethyl]methanesulfinothioamide?
The canonical SMILES for N-[2-(3,3-difluorocyclobutyl)ethyl]methanesulfinothioamide is CS(=S)NCCC1CC(F)(F)C1.
What is the InChIKey of N-[2-(3,3-difluorocyclobutyl)ethyl]methanesulfinothioamide?
The InChIKey is MWNOSGIBTRZNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NS2/c1-12(11)10-3-2-6-4-7(8,9)5-6/h6,10H,2-5H2,1H3.
What are the key properties of N-[2-(3,3-difluorocyclobutyl)ethyl]methanesulfinothioamide?
N-[2-(3,3-difluorocyclobutyl)ethyl]methanesulfinothioamide has a molecular weight of 213.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-difluorocyclobutyl)ethyl]methanesulfinothioamide is sourced from PubChem (CID 155346496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).