(3,3-difluoro-1,1-dioxothian-4-yl)methanamine

C6H11F2NO2S — CID 84775226

IUPAC(3,3-difluoro-1,1-dioxothian-4-yl)methanamine
SMILESNCC1CCS(=O)(=O)CC1(F)F
InChIInChI=1S/C6H11F2NO2S/c7-6(8)4-12(10,11)2-1-5(6)3-9/h5H,1-4,9H2
InChIKeyDUIUAUVUZPYVCH-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.02
Rot. Bonds1

About (3,3-difluoro-1,1-dioxothian-4-yl)methanamine

(3,3-difluoro-1,1-dioxothian-4-yl)methanamine (PubChem CID 84775226) has the molecular formula C6H11F2NO2S and a molecular weight of 199.22 g/mol. Its IUPAC name is (3,3-difluoro-1,1-dioxothian-4-yl)methanamine.

Molecular Properties

Compound Name(3,3-difluoro-1,1-dioxothian-4-yl)methanamine
PubChem CID84775226
Molecular FormulaC6H11F2NO2S
Molecular Weight199.22 g/mol
Exact Mass199.05
IUPAC Name(3,3-difluoro-1,1-dioxothian-4-yl)methanamine
SMILESNCC1CCS(=O)(=O)CC1(F)F
InChIInChI=1S/C6H11F2NO2S/c7-6(8)4-12(10,11)2-1-5(6)3-9/h5H,1-4,9H2
InChIKeyDUIUAUVUZPYVCH-UHFFFAOYSA-N
XLogP0.02
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)methanamine hydrochloride
CID 47000751
4-(Aminomethyl)-1lambda~6~-thiane-1,1-dione
CID 47000752
3-(Aminomethyl)-1lambda6-thiane-1,1-dione
CID 60796760
3-Methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine
CID 142791534
3-Methyl-4-(3,3,3-trifluoropropylsulfonyl)butan-1-amine
CID 142791535
3-Methyl-4-(4,4,5,5,5-pentafluoropentylsulfonyl)butan-1-amine
CID 142791541
3-Methyl-4-(4,4,4-trifluorobutylsulfonyl)butan-1-amine
CID 142791542
4-Amino-4-(2,2,2-trifluoroethyl)tetrahydro-2H-thiopyran 1,1-dioxide
CID 171552628
4-Amino-4-(trifluoromethyl)-1lambda6-thiane-1,1-dione
CID 63896617
4-(Difluoromethyl)-1,1-dioxothian-4-amine
CID 80604427
(3-Fluoro-1,1-dioxothian-3-yl)methanamine
CID 84022422
(4-Fluoro-1,1-dioxothian-4-yl)methanamine
CID 84022423

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoro-1,1-dioxothian-4-yl)methanamine?
The IUPAC name of (3,3-difluoro-1,1-dioxothian-4-yl)methanamine (CID 84775226) is (3,3-difluoro-1,1-dioxothian-4-yl)methanamine.
What is the SMILES notation for (3,3-difluoro-1,1-dioxothian-4-yl)methanamine?
The canonical SMILES for (3,3-difluoro-1,1-dioxothian-4-yl)methanamine is NCC1CCS(=O)(=O)CC1(F)F.
What is the InChIKey of (3,3-difluoro-1,1-dioxothian-4-yl)methanamine?
The InChIKey is DUIUAUVUZPYVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2S/c7-6(8)4-12(10,11)2-1-5(6)3-9/h5H,1-4,9H2.
What are the key properties of (3,3-difluoro-1,1-dioxothian-4-yl)methanamine?
(3,3-difluoro-1,1-dioxothian-4-yl)methanamine has a molecular weight of 199.22 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoro-1,1-dioxothian-4-yl)methanamine is sourced from PubChem (CID 84775226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).