N-(1,1,1-trifluoropropan-2-yl)thiolan-3-amine

C7H12F3NS — CID 130708891

IUPACN-(1,1,1-trifluoropropan-2-yl)thiolan-3-amine
SMILESCC(NC1CCSC1)C(F)(F)F
InChIInChI=1S/C7H12F3NS/c1-5(7(8,9)10)11-6-2-3-12-4-6/h5-6,11H,2-4H2,1H3
InChIKeyQSEUHBOOVMSBGW-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.03
Rot. Bonds2

About N-(1,1,1-trifluoropropan-2-yl)thiolan-3-amine

N-(1,1,1-trifluoropropan-2-yl)thiolan-3-amine (PubChem CID 130708891) has the molecular formula C7H12F3NS and a molecular weight of 199.24 g/mol. Its IUPAC name is N-(1,1,1-trifluoropropan-2-yl)thiolan-3-amine.

Molecular Properties

Compound NameN-(1,1,1-trifluoropropan-2-yl)thiolan-3-amine
PubChem CID130708891
Molecular FormulaC7H12F3NS
Molecular Weight199.24 g/mol
Exact Mass199.06
IUPAC NameN-(1,1,1-trifluoropropan-2-yl)thiolan-3-amine
SMILESCC(NC1CCSC1)C(F)(F)F
InChIInChI=1S/C7H12F3NS/c1-5(7(8,9)10)11-6-2-3-12-4-6/h5-6,11H,2-4H2,1H3
InChIKeyQSEUHBOOVMSBGW-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-cyclopentylethyl]thiolan-3-amine
CID 81394776
2-N-(thiolan-3-yl)propane-1,2-diamine
CID 103391245
4-(thiolan-3-ylamino)pentan-1-ol
CID 75356498
3-fluoro-N-(1,1,1-trifluoropropan-2-yl)cyclopentan-1-amine
CID 130668515
N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiolan-3-amine
CID 43223825
N-[1-(1-adamantyl)ethyl]thiolan-3-amine
CID 43177652
N-(1-cyclopropylpropyl)thiolan-3-amine
CID 103902644
N-[1-(3,5-dimethylphenyl)ethyl]thiolan-3-amine
CID 115718210
N-(4,4,4-trifluorobutan-2-yl)thian-4-amine
CID 103901644
N-(1,1-difluoropropan-2-yl)thian-3-amine
CID 102870110
(2S)-2-[[(3R)-thiolan-3-yl]amino]butan-1-ol
CID 28723252
2-fluoro-2-methyl-N-(thiolan-3-yl)propanamide
CID 130165186

Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoropropan-2-yl)thiolan-3-amine?
The IUPAC name of N-(1,1,1-trifluoropropan-2-yl)thiolan-3-amine (CID 130708891) is N-(1,1,1-trifluoropropan-2-yl)thiolan-3-amine.
What is the SMILES notation for N-(1,1,1-trifluoropropan-2-yl)thiolan-3-amine?
The canonical SMILES for N-(1,1,1-trifluoropropan-2-yl)thiolan-3-amine is CC(NC1CCSC1)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoropropan-2-yl)thiolan-3-amine?
The InChIKey is QSEUHBOOVMSBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NS/c1-5(7(8,9)10)11-6-2-3-12-4-6/h5-6,11H,2-4H2,1H3.
What are the key properties of N-(1,1,1-trifluoropropan-2-yl)thiolan-3-amine?
N-(1,1,1-trifluoropropan-2-yl)thiolan-3-amine has a molecular weight of 199.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoropropan-2-yl)thiolan-3-amine is sourced from PubChem (CID 130708891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).