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

C9H14F3NS — CID 130519956

IUPAC4-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine
SMILESCC1CSCC1NC1(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NS/c1-6-4-14-5-7(6)13-8(2-3-8)9(10,11)12/h6-7,13H,2-5H2,1H3
InChIKeyRSZQPXFHYZBJKN-UHFFFAOYSA-N
MW225.28 g/mol
LogP2.42
Rot. Bonds2

About 4-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine

4-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine (PubChem CID 130519956) has the molecular formula C9H14F3NS and a molecular weight of 225.28 g/mol. Its IUPAC name is 4-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine.

Molecular Properties

Compound Name4-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine
PubChem CID130519956
Molecular FormulaC9H14F3NS
Molecular Weight225.28 g/mol
Exact Mass225.08
IUPAC Name4-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine
SMILESCC1CSCC1NC1(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NS/c1-6-4-14-5-7(6)13-8(2-3-8)9(10,11)12/h6-7,13H,2-5H2,1H3
InChIKeyRSZQPXFHYZBJKN-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine?
The IUPAC name of 4-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine (CID 130519956) is 4-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine.
What is the SMILES notation for 4-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine?
The canonical SMILES for 4-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine is CC1CSCC1NC1(C(F)(F)F)CC1.
What is the InChIKey of 4-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine?
The InChIKey is RSZQPXFHYZBJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NS/c1-6-4-14-5-7(6)13-8(2-3-8)9(10,11)12/h6-7,13H,2-5H2,1H3.
What are the key properties of 4-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine?
4-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine has a molecular weight of 225.28 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine is sourced from PubChem (CID 130519956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).