5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-2,4-dimethylbenzenesulfonamide

C16H24N2O2S — CID 106067743

IUPAC5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC2CC3CCC2C3)cc1CN
InChIInChI=1S/C16H24N2O2S/c1-10-5-11(2)16(8-14(10)9-17)21(19,20)18-15-7-12-3-4-13(15)6-12/h5,8,12-13,15,18H,3-4,6-7,9,17H2,1-2H3
InChIKeyIHZWOBGOBOBGST-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.23
Rot. Bonds4

About 5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-2,4-dimethylbenzenesulfonamide

5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-2,4-dimethylbenzenesulfonamide (PubChem CID 106067743) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-2,4-dimethylbenzenesulfonamide
PubChem CID106067743
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC2CC3CCC2C3)cc1CN
InChIInChI=1S/C16H24N2O2S/c1-10-5-11(2)16(8-14(10)9-17)21(19,20)18-15-7-12-3-4-13(15)6-12/h5,8,12-13,15,18H,3-4,6-7,9,17H2,1-2H3
InChIKeyIHZWOBGOBOBGST-UHFFFAOYSA-N
XLogP2.23
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-4-fluoro-5-methylbenzenesulfonamide
CID 106067800
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 125054327
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-2-methylbenzenesulfonamide
CID 100690195
N-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 133200353
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,4,6-trimethylbenzenesulfonamide
CID 11896359
5-(aminomethyl)-2,4-dimethyl-N-(thiolan-3-yl)benzenesulfonamide
CID 106086279
5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-1-methylpyrrole-3-sulfonamide
CID 106067674
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 125048908
5-(aminomethyl)-2,4-dimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 106016485
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylbenzenesulfonamide
CID 11878164
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-3-methylbenzenesulfonamide
CID 100693831
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,5-dichlorobenzenesulfonamide
CID 6980060

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-2,4-dimethylbenzenesulfonamide (CID 106067743) is 5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-2,4-dimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NC2CC3CCC2C3)cc1CN.
What is the InChIKey of 5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is IHZWOBGOBOBGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-10-5-11(2)16(8-14(10)9-17)21(19,20)18-15-7-12-3-4-13(15)6-12/h5,8,12-13,15,18H,3-4,6-7,9,17H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-2,4-dimethylbenzenesulfonamide?
5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-2,4-dimethylbenzenesulfonamide has a molecular weight of 308.45 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 106067743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).