N-(1-fluoro-2-methylpropan-2-yl)thian-4-amine

C9H18FNS — CID 130685701

IUPACN-(1-fluoro-2-methylpropan-2-yl)thian-4-amine
SMILESCC(C)(CF)NC1CCSCC1
InChIInChI=1S/C9H18FNS/c1-9(2,7-10)11-8-3-5-12-6-4-8/h8,11H,3-7H2,1-2H3
InChIKeyYTKCSNIVNBUBSC-UHFFFAOYSA-N
MW191.31 g/mol
LogP2.22
Rot. Bonds3

About N-(1-fluoro-2-methylpropan-2-yl)thian-4-amine

N-(1-fluoro-2-methylpropan-2-yl)thian-4-amine (PubChem CID 130685701) has the molecular formula C9H18FNS and a molecular weight of 191.31 g/mol. Its IUPAC name is N-(1-fluoro-2-methylpropan-2-yl)thian-4-amine.

Molecular Properties

Compound NameN-(1-fluoro-2-methylpropan-2-yl)thian-4-amine
PubChem CID130685701
Molecular FormulaC9H18FNS
Molecular Weight191.31 g/mol
Exact Mass191.11
IUPAC NameN-(1-fluoro-2-methylpropan-2-yl)thian-4-amine
SMILESCC(C)(CF)NC1CCSCC1
InChIInChI=1S/C9H18FNS/c1-9(2,7-10)11-8-3-5-12-6-4-8/h8,11H,3-7H2,1-2H3
InChIKeyYTKCSNIVNBUBSC-UHFFFAOYSA-N
XLogP2.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,5,6-Tetramethylthio-morpholine
CID 57044051
N-(3,3,3-trifluoropropyl)thian-4-amine
CID 63225937
1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine
CID 65132245
1-tert-butylsulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 65132953
5,5,5-trifluoro-1-(2-methylpropylsulfanyl)-N-propylpentan-2-amine
CID 65135087
N-ethyl-5,5,5-trifluoro-1-(2-methylpropylsulfanyl)pentan-2-amine
CID 65135750
N-(4,4,4-trifluorobutyl)thian-4-amine
CID 79038721
2-methyl-N-(2,2,2-trifluoroethyl)thian-3-amine
CID 79957075
2-methyl-N-(3,3,3-trifluoropropyl)thian-3-amine
CID 79957239
1-(1,4-dithian-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 79966317
1-(1,4-dithian-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79966425
3-(2-Fluoropropan-2-yl)thiomorpholine
CID 83815796

Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)thian-4-amine?
The IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)thian-4-amine (CID 130685701) is N-(1-fluoro-2-methylpropan-2-yl)thian-4-amine.
What is the SMILES notation for N-(1-fluoro-2-methylpropan-2-yl)thian-4-amine?
The canonical SMILES for N-(1-fluoro-2-methylpropan-2-yl)thian-4-amine is CC(C)(CF)NC1CCSCC1.
What is the InChIKey of N-(1-fluoro-2-methylpropan-2-yl)thian-4-amine?
The InChIKey is YTKCSNIVNBUBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNS/c1-9(2,7-10)11-8-3-5-12-6-4-8/h8,11H,3-7H2,1-2H3.
What are the key properties of N-(1-fluoro-2-methylpropan-2-yl)thian-4-amine?
N-(1-fluoro-2-methylpropan-2-yl)thian-4-amine has a molecular weight of 191.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-2-methylpropan-2-yl)thian-4-amine is sourced from PubChem (CID 130685701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).