N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]thiolan-3-amine

C8H13F2NS — CID 130608477

IUPACN-[(1S,2S)-2-(difluoromethyl)cyclopropyl]thiolan-3-amine
SMILESFC(F)[C@H]1C[C@@H]1NC1CCSC1
InChIInChI=1S/C8H13F2NS/c9-8(10)6-3-7(6)11-5-1-2-12-4-5/h5-8,11H,1-4H2/t5?,6-,7-/m0/s1
InChIKeyHHKPPDCUMKJMIN-BYRXKDITSA-N
MW193.26 g/mol
LogP1.74
Rot. Bonds3

About N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]thiolan-3-amine

N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]thiolan-3-amine (PubChem CID 130608477) has the molecular formula C8H13F2NS and a molecular weight of 193.26 g/mol. Its IUPAC name is N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[(1S,2S)-2-(difluoromethyl)cyclopropyl]thiolan-3-amine
PubChem CID130608477
Molecular FormulaC8H13F2NS
Molecular Weight193.26 g/mol
Exact Mass193.07
IUPAC NameN-[(1S,2S)-2-(difluoromethyl)cyclopropyl]thiolan-3-amine
SMILESFC(F)[C@H]1C[C@@H]1NC1CCSC1
InChIInChI=1S/C8H13F2NS/c9-8(10)6-3-7(6)11-5-1-2-12-4-5/h5-8,11H,1-4H2/t5?,6-,7-/m0/s1
InChIKeyHHKPPDCUMKJMIN-BYRXKDITSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]thiolan-3-amine?
The IUPAC name of N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]thiolan-3-amine (CID 130608477) is N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]thiolan-3-amine.
What is the SMILES notation for N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]thiolan-3-amine?
The canonical SMILES for N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]thiolan-3-amine is FC(F)[C@H]1C[C@@H]1NC1CCSC1.
What is the InChIKey of N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]thiolan-3-amine?
The InChIKey is HHKPPDCUMKJMIN-BYRXKDITSA-N. The full InChI is InChI=1S/C8H13F2NS/c9-8(10)6-3-7(6)11-5-1-2-12-4-5/h5-8,11H,1-4H2/t5?,6-,7-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]thiolan-3-amine?
N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]thiolan-3-amine has a molecular weight of 193.26 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]thiolan-3-amine is sourced from PubChem (CID 130608477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).