2-fluoro-N-methyl-3-(thian-3-yl)propan-1-amine

C9H18FNS — CID 105445597

IUPAC2-fluoro-N-methyl-3-(thian-3-yl)propan-1-amine
SMILESCNCC(F)CC1CCCSC1
InChIInChI=1S/C9H18FNS/c1-11-6-9(10)5-8-3-2-4-12-7-8/h8-9,11H,2-7H2,1H3
InChIKeyCPEYTBXOYCSVJQ-UHFFFAOYSA-N
MW191.31 g/mol
LogP2.08
Rot. Bonds4

About 2-fluoro-N-methyl-3-(thian-3-yl)propan-1-amine

2-fluoro-N-methyl-3-(thian-3-yl)propan-1-amine (PubChem CID 105445597) has the molecular formula C9H18FNS and a molecular weight of 191.31 g/mol. Its IUPAC name is 2-fluoro-N-methyl-3-(thian-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-fluoro-N-methyl-3-(thian-3-yl)propan-1-amine
PubChem CID105445597
Molecular FormulaC9H18FNS
Molecular Weight191.31 g/mol
Exact Mass191.11
IUPAC Name2-fluoro-N-methyl-3-(thian-3-yl)propan-1-amine
SMILESCNCC(F)CC1CCCSC1
InChIInChI=1S/C9H18FNS/c1-11-6-9(10)5-8-3-2-4-12-7-8/h8-9,11H,2-7H2,1H3
InChIKeyCPEYTBXOYCSVJQ-UHFFFAOYSA-N
XLogP2.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-3-(thian-3-yl)propan-1-amine?
The IUPAC name of 2-fluoro-N-methyl-3-(thian-3-yl)propan-1-amine (CID 105445597) is 2-fluoro-N-methyl-3-(thian-3-yl)propan-1-amine.
What is the SMILES notation for 2-fluoro-N-methyl-3-(thian-3-yl)propan-1-amine?
The canonical SMILES for 2-fluoro-N-methyl-3-(thian-3-yl)propan-1-amine is CNCC(F)CC1CCCSC1.
What is the InChIKey of 2-fluoro-N-methyl-3-(thian-3-yl)propan-1-amine?
The InChIKey is CPEYTBXOYCSVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNS/c1-11-6-9(10)5-8-3-2-4-12-7-8/h8-9,11H,2-7H2,1H3.
What are the key properties of 2-fluoro-N-methyl-3-(thian-3-yl)propan-1-amine?
2-fluoro-N-methyl-3-(thian-3-yl)propan-1-amine has a molecular weight of 191.31 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-3-(thian-3-yl)propan-1-amine is sourced from PubChem (CID 105445597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).