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

C10H18FNS — CID 130831714

IUPACN-[(1-fluorocyclopropyl)methyl]-N-methylthian-3-amine
SMILESCN(CC1(F)CC1)C1CCCSC1
InChIInChI=1S/C10H18FNS/c1-12(8-10(11)4-5-10)9-3-2-6-13-7-9/h9H,2-8H2,1H3
InChIKeyUIOMGBBKQFAXMA-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.32
Rot. Bonds3

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

N-[(1-fluorocyclopropyl)methyl]-N-methylthian-3-amine (PubChem CID 130831714) has the molecular formula C10H18FNS and a molecular weight of 203.33 g/mol. Its IUPAC name is N-[(1-fluorocyclopropyl)methyl]-N-methylthian-3-amine.

Molecular Properties

Compound NameN-[(1-fluorocyclopropyl)methyl]-N-methylthian-3-amine
PubChem CID130831714
Molecular FormulaC10H18FNS
Molecular Weight203.33 g/mol
Exact Mass203.11
IUPAC NameN-[(1-fluorocyclopropyl)methyl]-N-methylthian-3-amine
SMILESCN(CC1(F)CC1)C1CCCSC1
InChIInChI=1S/C10H18FNS/c1-12(8-10(11)4-5-10)9-3-2-6-13-7-9/h9H,2-8H2,1H3
InChIKeyUIOMGBBKQFAXMA-UHFFFAOYSA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.32
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-methylthian-3-amine?
The IUPAC name of N-[(1-fluorocyclopropyl)methyl]-N-methylthian-3-amine (CID 130831714) is N-[(1-fluorocyclopropyl)methyl]-N-methylthian-3-amine.
What is the SMILES notation for N-[(1-fluorocyclopropyl)methyl]-N-methylthian-3-amine?
The canonical SMILES for N-[(1-fluorocyclopropyl)methyl]-N-methylthian-3-amine is CN(CC1(F)CC1)C1CCCSC1.
What is the InChIKey of N-[(1-fluorocyclopropyl)methyl]-N-methylthian-3-amine?
The InChIKey is UIOMGBBKQFAXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNS/c1-12(8-10(11)4-5-10)9-3-2-6-13-7-9/h9H,2-8H2,1H3.
What are the key properties of N-[(1-fluorocyclopropyl)methyl]-N-methylthian-3-amine?
N-[(1-fluorocyclopropyl)methyl]-N-methylthian-3-amine has a molecular weight of 203.33 g/mol, XLogP of 2.32, 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-methylthian-3-amine is sourced from PubChem (CID 130831714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).