4-[3-[(cyclohexylamino)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide

C18H28N2O2S — CID 155513775

IUPAC4-[3-[(cyclohexylamino)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide
SMILESCC1(C)C(CNC2CCCCC2)C1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H28N2O2S/c1-18(2)16(12-20-14-6-4-3-5-7-14)17(18)13-8-10-15(11-9-13)23(19,21)22/h8-11,14,16-17,20H,3-7,12H2,1-2H3,(H2,19,21,22)
InChIKeyGGNCBCNGJGJXIV-UHFFFAOYSA-N
MW336.50 g/mol
LogP3.00
Rot. Bonds5

About 4-[3-[(cyclohexylamino)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide

4-[3-[(cyclohexylamino)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide (PubChem CID 155513775) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 4-[3-[(cyclohexylamino)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-[(cyclohexylamino)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide
PubChem CID155513775
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name4-[3-[(cyclohexylamino)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide
SMILESCC1(C)C(CNC2CCCCC2)C1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H28N2O2S/c1-18(2)16(12-20-14-6-4-3-5-7-14)17(18)13-8-10-15(11-9-13)23(19,21)22/h8-11,14,16-17,20H,3-7,12H2,1-2H3,(H2,19,21,22)
InChIKeyGGNCBCNGJGJXIV-UHFFFAOYSA-N
XLogP3.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(cyclohexylamino)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
The IUPAC name of 4-[3-[(cyclohexylamino)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide (CID 155513775) is 4-[3-[(cyclohexylamino)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide.
What is the SMILES notation for 4-[3-[(cyclohexylamino)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
The canonical SMILES for 4-[3-[(cyclohexylamino)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide is CC1(C)C(CNC2CCCCC2)C1c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[3-[(cyclohexylamino)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
The InChIKey is GGNCBCNGJGJXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-18(2)16(12-20-14-6-4-3-5-7-14)17(18)13-8-10-15(11-9-13)23(19,21)22/h8-11,14,16-17,20H,3-7,12H2,1-2H3,(H2,19,21,22).
What are the key properties of 4-[3-[(cyclohexylamino)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
4-[3-[(cyclohexylamino)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide has a molecular weight of 336.50 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(cyclohexylamino)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide is sourced from PubChem (CID 155513775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).