N-[1-(trifluoromethyl)cyclopropyl]thian-3-amine

C9H14F3NS — CID 106210283

IUPACN-[1-(trifluoromethyl)cyclopropyl]thian-3-amine
SMILESFC(F)(F)C1(NC2CCCSC2)CC1
InChIInChI=1S/C9H14F3NS/c10-9(11,12)8(3-4-8)13-7-2-1-5-14-6-7/h7,13H,1-6H2
InChIKeyCORYDURCWQDYBF-UHFFFAOYSA-N
MW225.28 g/mol
LogP2.57
Rot. Bonds2

About N-[1-(trifluoromethyl)cyclopropyl]thian-3-amine

N-[1-(trifluoromethyl)cyclopropyl]thian-3-amine (PubChem CID 106210283) has the molecular formula C9H14F3NS and a molecular weight of 225.28 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclopropyl]thian-3-amine.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclopropyl]thian-3-amine
PubChem CID106210283
Molecular FormulaC9H14F3NS
Molecular Weight225.28 g/mol
Exact Mass225.08
IUPAC NameN-[1-(trifluoromethyl)cyclopropyl]thian-3-amine
SMILESFC(F)(F)C1(NC2CCCSC2)CC1
InChIInChI=1S/C9H14F3NS/c10-9(11,12)8(3-4-8)13-7-2-1-5-14-6-7/h7,13H,1-6H2
InChIKeyCORYDURCWQDYBF-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]thian-3-amine?
The IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]thian-3-amine (CID 106210283) is N-[1-(trifluoromethyl)cyclopropyl]thian-3-amine.
What is the SMILES notation for N-[1-(trifluoromethyl)cyclopropyl]thian-3-amine?
The canonical SMILES for N-[1-(trifluoromethyl)cyclopropyl]thian-3-amine is FC(F)(F)C1(NC2CCCSC2)CC1.
What is the InChIKey of N-[1-(trifluoromethyl)cyclopropyl]thian-3-amine?
The InChIKey is CORYDURCWQDYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NS/c10-9(11,12)8(3-4-8)13-7-2-1-5-14-6-7/h7,13H,1-6H2.
What are the key properties of N-[1-(trifluoromethyl)cyclopropyl]thian-3-amine?
N-[1-(trifluoromethyl)cyclopropyl]thian-3-amine has a molecular weight of 225.28 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(trifluoromethyl)cyclopropyl]thian-3-amine is sourced from PubChem (CID 106210283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).