2-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine

C9H14F3NS — CID 106210204

IUPAC2-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine
SMILESCC1SCCC1NC1(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NS/c1-6-7(2-5-14-6)13-8(3-4-8)9(10,11)12/h6-7,13H,2-5H2,1H3
InChIKeyMRSJHZXDEUBIPT-UHFFFAOYSA-N
MW225.28 g/mol
LogP2.56
Rot. Bonds2

About 2-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine

2-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine (PubChem CID 106210204) has the molecular formula C9H14F3NS and a molecular weight of 225.28 g/mol. Its IUPAC name is 2-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine
PubChem CID106210204
Molecular FormulaC9H14F3NS
Molecular Weight225.28 g/mol
Exact Mass225.08
IUPAC Name2-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine
SMILESCC1SCCC1NC1(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NS/c1-6-7(2-5-14-6)13-8(3-4-8)9(10,11)12/h6-7,13H,2-5H2,1H3
InChIKeyMRSJHZXDEUBIPT-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine?
The IUPAC name of 2-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine (CID 106210204) is 2-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine.
What is the SMILES notation for 2-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine?
The canonical SMILES for 2-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine is CC1SCCC1NC1(C(F)(F)F)CC1.
What is the InChIKey of 2-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine?
The InChIKey is MRSJHZXDEUBIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NS/c1-6-7(2-5-14-6)13-8(3-4-8)9(10,11)12/h6-7,13H,2-5H2,1H3.
What are the key properties of 2-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine?
2-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine has a molecular weight of 225.28 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine is sourced from PubChem (CID 106210204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).