3-cyanobenzenesulfinamide

C7H6N2OS — CID 134416278

IUPAC3-cyanobenzenesulfinamide
SMILESN#Cc1cccc(S(N)=O)c1
InChIInChI=1S/C7H6N2OS/c8-5-6-2-1-3-7(4-6)11(9)10/h1-4H,9H2
InChIKeyVMHFPNFPPWHPRE-UHFFFAOYSA-N
MW166.20 g/mol
LogP0.54
Rot. Bonds1

About 3-cyanobenzenesulfinamide

3-cyanobenzenesulfinamide (PubChem CID 134416278) has the molecular formula C7H6N2OS and a molecular weight of 166.20 g/mol. Its IUPAC name is 3-cyanobenzenesulfinamide.

Molecular Properties

Compound Name3-cyanobenzenesulfinamide
PubChem CID134416278
Molecular FormulaC7H6N2OS
Molecular Weight166.20 g/mol
Exact Mass166.02
IUPAC Name3-cyanobenzenesulfinamide
SMILESN#Cc1cccc(S(N)=O)c1
InChIInChI=1S/C7H6N2OS/c8-5-6-2-1-3-7(4-6)11(9)10/h1-4H,9H2
InChIKeyVMHFPNFPPWHPRE-UHFFFAOYSA-N
XLogP0.54
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(hydroxymethyl)phenyl]sulfinylbenzonitrile
CID 86246174
3-[2-(3-cyanophenyl)ethynyl]benzonitrile
CID 12022275
3-[amino(dideuterio)methyl]benzonitrile
CID 175940436
3-[[methyl-[2-[(R)-phenylsulfinyl]ethyl]amino]methyl]benzonitrile
CID 95301960
3-(4-aminobutan-2-ylsulfinylmethyl)benzonitrile
CID 81195170
(3-cyanophenyl)methanesulfonohydrazide
CID 43476897
3-(3-aminopropanoyl)benzonitrile
CID 117277123
3-(phosphanylmethyl)benzonitrile
CID 143041927
3-[(4-amino-2,6-difluorophenyl)sulfinylmethyl]benzonitrile
CID 61369619
3-(2-aminobutylsulfinylmethyl)benzonitrile
CID 81188233
4-[(3-aminophenyl)sulfinylmethyl]benzonitrile
CID 81180375
3-(cyclopentylsulfinylmethyl)benzonitrile
CID 63791036

Frequently Asked Questions

What is the IUPAC name of 3-cyanobenzenesulfinamide?
The IUPAC name of 3-cyanobenzenesulfinamide (CID 134416278) is 3-cyanobenzenesulfinamide.
What is the SMILES notation for 3-cyanobenzenesulfinamide?
The canonical SMILES for 3-cyanobenzenesulfinamide is N#Cc1cccc(S(N)=O)c1.
What is the InChIKey of 3-cyanobenzenesulfinamide?
The InChIKey is VMHFPNFPPWHPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c8-5-6-2-1-3-7(4-6)11(9)10/h1-4H,9H2.
What are the key properties of 3-cyanobenzenesulfinamide?
3-cyanobenzenesulfinamide has a molecular weight of 166.20 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyanobenzenesulfinamide is sourced from PubChem (CID 134416278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).