N-[(1-fluorocyclopropyl)methyl]-N-methylthiolan-3-amine

C9H16FNS — CID 130703036

IUPACN-[(1-fluorocyclopropyl)methyl]-N-methylthiolan-3-amine
SMILESCN(CC1(F)CC1)C1CCSC1
InChIInChI=1S/C9H16FNS/c1-11(7-9(10)3-4-9)8-2-5-12-6-8/h8H,2-7H2,1H3
InChIKeyGUBQJFPYNZTRCW-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.93
Rot. Bonds3

About N-[(1-fluorocyclopropyl)methyl]-N-methylthiolan-3-amine

N-[(1-fluorocyclopropyl)methyl]-N-methylthiolan-3-amine (PubChem CID 130703036) has the molecular formula C9H16FNS and a molecular weight of 189.30 g/mol. Its IUPAC name is N-[(1-fluorocyclopropyl)methyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[(1-fluorocyclopropyl)methyl]-N-methylthiolan-3-amine
PubChem CID130703036
Molecular FormulaC9H16FNS
Molecular Weight189.30 g/mol
Exact Mass189.10
IUPAC NameN-[(1-fluorocyclopropyl)methyl]-N-methylthiolan-3-amine
SMILESCN(CC1(F)CC1)C1CCSC1
InChIInChI=1S/C9H16FNS/c1-11(7-9(10)3-4-9)8-2-5-12-6-8/h8H,2-7H2,1H3
InChIKeyGUBQJFPYNZTRCW-UHFFFAOYSA-N
XLogP1.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclopropyl)methyl]-N-methylthiolan-3-amine?
The IUPAC name of N-[(1-fluorocyclopropyl)methyl]-N-methylthiolan-3-amine (CID 130703036) is N-[(1-fluorocyclopropyl)methyl]-N-methylthiolan-3-amine.
What is the SMILES notation for N-[(1-fluorocyclopropyl)methyl]-N-methylthiolan-3-amine?
The canonical SMILES for N-[(1-fluorocyclopropyl)methyl]-N-methylthiolan-3-amine is CN(CC1(F)CC1)C1CCSC1.
What is the InChIKey of N-[(1-fluorocyclopropyl)methyl]-N-methylthiolan-3-amine?
The InChIKey is GUBQJFPYNZTRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNS/c1-11(7-9(10)3-4-9)8-2-5-12-6-8/h8H,2-7H2,1H3.
What are the key properties of N-[(1-fluorocyclopropyl)methyl]-N-methylthiolan-3-amine?
N-[(1-fluorocyclopropyl)methyl]-N-methylthiolan-3-amine has a molecular weight of 189.30 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclopropyl)methyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 130703036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).