[1-(1,1-dioxothian-4-yl)-3-fluoro-3-methylcyclobutyl]methanamine

C11H20FNO2S — CID 115046493

IUPAC[1-(1,1-dioxothian-4-yl)-3-fluoro-3-methylcyclobutyl]methanamine
SMILESCC1(F)CC(CN)(C2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C11H20FNO2S/c1-10(12)6-11(7-10,8-13)9-2-4-16(14,15)5-3-9/h9H,2-8,13H2,1H3
InChIKeyCPAWKYZQVPCMDK-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.28
Rot. Bonds2

About [1-(1,1-dioxothian-4-yl)-3-fluoro-3-methylcyclobutyl]methanamine

[1-(1,1-dioxothian-4-yl)-3-fluoro-3-methylcyclobutyl]methanamine (PubChem CID 115046493) has the molecular formula C11H20FNO2S and a molecular weight of 249.35 g/mol. Its IUPAC name is [1-(1,1-dioxothian-4-yl)-3-fluoro-3-methylcyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(1,1-dioxothian-4-yl)-3-fluoro-3-methylcyclobutyl]methanamine
PubChem CID115046493
Molecular FormulaC11H20FNO2S
Molecular Weight249.35 g/mol
Exact Mass249.12
IUPAC Name[1-(1,1-dioxothian-4-yl)-3-fluoro-3-methylcyclobutyl]methanamine
SMILESCC1(F)CC(CN)(C2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C11H20FNO2S/c1-10(12)6-11(7-10,8-13)9-2-4-16(14,15)5-3-9/h9H,2-8,13H2,1H3
InChIKeyCPAWKYZQVPCMDK-UHFFFAOYSA-N
XLogP1.28
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluoro-1-isocyanato-3-methylcyclobutyl)thiane 1,1-dioxide
CID 115048817
[3,3-difluoro-1-(thian-4-yl)cyclobutyl]methanamine
CID 115032891
1-(1,1-dioxothian-4-yl)-1-methylhydrazine
CID 145167794
4-(aminomethyl)-N-cyclohexyl-N-methyl-1,1-dioxothian-4-amine
CID 54982945
2-(1,1-dioxothian-4-yl)-2-fluoropropan-1-amine
CID 105463191
(1-cyclopropylcyclooctyl)methanamine
CID 130515109
[1,1-dioxo-4-(oxolan-2-yl)thian-4-yl]methanamine
CID 165475538
1-(1,1-dioxothian-4-yl)-N-methylcyclopropan-1-amine
CID 84671818
4-(5-fluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)thiane 1,1-dioxide
CID 115048853
3-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N,5,5-trimethylthian-3-amine
CID 79958421
[3-(1,1-dioxothiolan-3-yl)-2,4-dihydrochromen-3-yl]methanamine
CID 65406928
1-(1,1-dioxothiolan-3-yl)-2-methylcyclopropan-1-amine
CID 115337362

Frequently Asked Questions

What is the IUPAC name of [1-(1,1-dioxothian-4-yl)-3-fluoro-3-methylcyclobutyl]methanamine?
The IUPAC name of [1-(1,1-dioxothian-4-yl)-3-fluoro-3-methylcyclobutyl]methanamine (CID 115046493) is [1-(1,1-dioxothian-4-yl)-3-fluoro-3-methylcyclobutyl]methanamine.
What is the SMILES notation for [1-(1,1-dioxothian-4-yl)-3-fluoro-3-methylcyclobutyl]methanamine?
The canonical SMILES for [1-(1,1-dioxothian-4-yl)-3-fluoro-3-methylcyclobutyl]methanamine is CC1(F)CC(CN)(C2CCS(=O)(=O)CC2)C1.
What is the InChIKey of [1-(1,1-dioxothian-4-yl)-3-fluoro-3-methylcyclobutyl]methanamine?
The InChIKey is CPAWKYZQVPCMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2S/c1-10(12)6-11(7-10,8-13)9-2-4-16(14,15)5-3-9/h9H,2-8,13H2,1H3.
What are the key properties of [1-(1,1-dioxothian-4-yl)-3-fluoro-3-methylcyclobutyl]methanamine?
[1-(1,1-dioxothian-4-yl)-3-fluoro-3-methylcyclobutyl]methanamine has a molecular weight of 249.35 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1-dioxothian-4-yl)-3-fluoro-3-methylcyclobutyl]methanamine is sourced from PubChem (CID 115046493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).