N-(4-fluorophenyl)-1,1-dioxothian-3-amine

C11H14FNO2S — CID 63910257

IUPACN-(4-fluorophenyl)-1,1-dioxothian-3-amine
SMILESO=S1(=O)CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C11H14FNO2S/c12-9-3-5-10(6-4-9)13-11-2-1-7-16(14,15)8-11/h3-6,11,13H,1-2,7-8H2
InChIKeyQDYGUVXYCPEXNP-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.81
Rot. Bonds2

About N-(4-fluorophenyl)-1,1-dioxothian-3-amine

N-(4-fluorophenyl)-1,1-dioxothian-3-amine (PubChem CID 63910257) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1,1-dioxothian-3-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1,1-dioxothian-3-amine
PubChem CID63910257
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC NameN-(4-fluorophenyl)-1,1-dioxothian-3-amine
SMILESO=S1(=O)CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C11H14FNO2S/c12-9-3-5-10(6-4-9)13-11-2-1-7-16(14,15)8-11/h3-6,11,13H,1-2,7-8H2
InChIKeyQDYGUVXYCPEXNP-UHFFFAOYSA-N
XLogP1.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1,1-dioxothian-3-yl)amino]-2-fluorophenol
CID 64794825
1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]thian-3-amine
CID 63909870
4-[(1,1-dioxothian-3-yl)amino]benzenesulfonamide
CID 63908905
N-[(4-fluorophenyl)methyl]-1,1-dioxothian-3-amine
CID 63910450
5-[(1,1-dioxothian-3-yl)amino]-2-fluorobenzoic acid
CID 63922414
5-[(1,1-dioxothian-3-yl)amino]-2-fluorobenzonitrile
CID 63923237
N-[4-methyl-3-(trifluoromethyl)phenyl]-1,1-dioxothian-3-amine
CID 63924016
N-(1,1-dioxothian-3-yl)quinoxalin-6-amine
CID 63923027
1,1-dioxo-N-[4-(tetrazol-1-yl)phenyl]thian-3-amine
CID 63910839
methyl 2-[4-[(1,1-dioxothian-3-yl)amino]phenoxy]acetate
CID 63911633
N-(1,1-dioxothian-3-yl)-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 63911451
2-amino-5-[(1,1-dioxothian-3-yl)amino]benzamide
CID 63924747

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1,1-dioxothian-3-amine?
The IUPAC name of N-(4-fluorophenyl)-1,1-dioxothian-3-amine (CID 63910257) is N-(4-fluorophenyl)-1,1-dioxothian-3-amine.
What is the SMILES notation for N-(4-fluorophenyl)-1,1-dioxothian-3-amine?
The canonical SMILES for N-(4-fluorophenyl)-1,1-dioxothian-3-amine is O=S1(=O)CCCC(Nc2ccc(F)cc2)C1.
What is the InChIKey of N-(4-fluorophenyl)-1,1-dioxothian-3-amine?
The InChIKey is QDYGUVXYCPEXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c12-9-3-5-10(6-4-9)13-11-2-1-7-16(14,15)8-11/h3-6,11,13H,1-2,7-8H2.
What are the key properties of N-(4-fluorophenyl)-1,1-dioxothian-3-amine?
N-(4-fluorophenyl)-1,1-dioxothian-3-amine has a molecular weight of 243.30 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1,1-dioxothian-3-amine is sourced from PubChem (CID 63910257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).