N-[(2,2-difluorocyclopropyl)methyl]-5-methylthiolan-3-amine

C9H15F2NS — CID 164659797

IUPACN-[(2,2-difluorocyclopropyl)methyl]-5-methylthiolan-3-amine
SMILESCC1CC(NCC2CC2(F)F)CS1
InChIInChI=1S/C9H15F2NS/c1-6-2-8(5-13-6)12-4-7-3-9(7,10)11/h6-8,12H,2-5H2,1H3
InChIKeyRUIMWZHOOSUPAD-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.13
Rot. Bonds3

About N-[(2,2-difluorocyclopropyl)methyl]-5-methylthiolan-3-amine

N-[(2,2-difluorocyclopropyl)methyl]-5-methylthiolan-3-amine (PubChem CID 164659797) has the molecular formula C9H15F2NS and a molecular weight of 207.29 g/mol. Its IUPAC name is N-[(2,2-difluorocyclopropyl)methyl]-5-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[(2,2-difluorocyclopropyl)methyl]-5-methylthiolan-3-amine
PubChem CID164659797
Molecular FormulaC9H15F2NS
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-[(2,2-difluorocyclopropyl)methyl]-5-methylthiolan-3-amine
SMILESCC1CC(NCC2CC2(F)F)CS1
InChIInChI=1S/C9H15F2NS/c1-6-2-8(5-13-6)12-4-7-3-9(7,10)11/h6-8,12H,2-5H2,1H3
InChIKeyRUIMWZHOOSUPAD-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-difluorocyclopropyl)methyl]-5-methylthiolan-3-amine?
The IUPAC name of N-[(2,2-difluorocyclopropyl)methyl]-5-methylthiolan-3-amine (CID 164659797) is N-[(2,2-difluorocyclopropyl)methyl]-5-methylthiolan-3-amine.
What is the SMILES notation for N-[(2,2-difluorocyclopropyl)methyl]-5-methylthiolan-3-amine?
The canonical SMILES for N-[(2,2-difluorocyclopropyl)methyl]-5-methylthiolan-3-amine is CC1CC(NCC2CC2(F)F)CS1.
What is the InChIKey of N-[(2,2-difluorocyclopropyl)methyl]-5-methylthiolan-3-amine?
The InChIKey is RUIMWZHOOSUPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NS/c1-6-2-8(5-13-6)12-4-7-3-9(7,10)11/h6-8,12H,2-5H2,1H3.
What are the key properties of N-[(2,2-difluorocyclopropyl)methyl]-5-methylthiolan-3-amine?
N-[(2,2-difluorocyclopropyl)methyl]-5-methylthiolan-3-amine has a molecular weight of 207.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-difluorocyclopropyl)methyl]-5-methylthiolan-3-amine is sourced from PubChem (CID 164659797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).