3-amino-2,5,6-trimethyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide

C16H26N2O2S — CID 107411106

IUPAC3-amino-2,5,6-trimethyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NCC2CCC(C)C2)c1C
InChIInChI=1S/C16H26N2O2S/c1-10-5-6-14(7-10)9-18-21(19,20)16-12(3)11(2)8-15(17)13(16)4/h8,10,14,18H,5-7,9,17H2,1-4H3
InChIKeyVPEZWZMOGIGUBI-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.91
Rot. Bonds4

About 3-amino-2,5,6-trimethyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide

3-amino-2,5,6-trimethyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide (PubChem CID 107411106) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 3-amino-2,5,6-trimethyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,5,6-trimethyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
PubChem CID107411106
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name3-amino-2,5,6-trimethyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NCC2CCC(C)C2)c1C
InChIInChI=1S/C16H26N2O2S/c1-10-5-6-14(7-10)9-18-21(19,20)16-12(3)11(2)8-15(17)13(16)4/h8,10,14,18H,5-7,9,17H2,1-4H3
InChIKeyVPEZWZMOGIGUBI-UHFFFAOYSA-N
XLogP2.91
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411164
3-amino-N-(cyclohex-3-en-1-ylmethyl)-2,5,6-trimethylbenzenesulfonamide
CID 106504730
N-[(3-hydroxycyclopentyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 103270305
3-amino-4-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411115
3-amino-N-(cyclopropylmethyl)-2,6-dimethylbenzenesulfonamide
CID 43257138
3-amino-2,5,6-trimethyl-N-(2-methylcyclopropyl)benzenesulfonamide
CID 106504779
3-amino-N-cyclopropyl-2,5,6-trimethylbenzenesulfonamide
CID 106503553
3-amino-2,5,6-trimethyl-N-pentylbenzenesulfonamide
CID 106503609
3-amino-4-hydroxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411156
2-[(3-amino-2,5,6-trimethylphenyl)sulfonylamino]ethylurea
CID 106505300
2-methyl-5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]furan-3-sulfonamide
CID 106089872
3-amino-N-(cyclopentylmethyl)-4,5-dimethylbenzenesulfonamide
CID 43370956

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5,6-trimethyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-2,5,6-trimethyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide (CID 107411106) is 3-amino-2,5,6-trimethyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-2,5,6-trimethyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-2,5,6-trimethyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)NCC2CCC(C)C2)c1C.
What is the InChIKey of 3-amino-2,5,6-trimethyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
The InChIKey is VPEZWZMOGIGUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-10-5-6-14(7-10)9-18-21(19,20)16-12(3)11(2)8-15(17)13(16)4/h8,10,14,18H,5-7,9,17H2,1-4H3.
What are the key properties of 3-amino-2,5,6-trimethyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
3-amino-2,5,6-trimethyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5,6-trimethyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 107411106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).