N,N-dimethyl-4-(8-propan-2-ylsulfonyloctyl)aniline

C19H33NO2S — CID 59545884

IUPACN,N-dimethyl-4-(8-propan-2-ylsulfonyloctyl)aniline
SMILESCC(C)S(=O)(=O)CCCCCCCCc1ccc(N(C)C)cc1
InChIInChI=1S/C19H33NO2S/c1-17(2)23(21,22)16-10-8-6-5-7-9-11-18-12-14-19(15-13-18)20(3)4/h12-15,17H,5-11,16H2,1-4H3
InChIKeyLVMPXGPMHIKSDF-UHFFFAOYSA-N
MW339.55 g/mol
LogP4.46
Rot. Bonds11

About N,N-dimethyl-4-(8-propan-2-ylsulfonyloctyl)aniline

N,N-dimethyl-4-(8-propan-2-ylsulfonyloctyl)aniline (PubChem CID 59545884) has the molecular formula C19H33NO2S and a molecular weight of 339.55 g/mol. Its IUPAC name is N,N-dimethyl-4-(8-propan-2-ylsulfonyloctyl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(8-propan-2-ylsulfonyloctyl)aniline
PubChem CID59545884
Molecular FormulaC19H33NO2S
Molecular Weight339.55 g/mol
Exact Mass339.22
IUPAC NameN,N-dimethyl-4-(8-propan-2-ylsulfonyloctyl)aniline
SMILESCC(C)S(=O)(=O)CCCCCCCCc1ccc(N(C)C)cc1
InChIInChI=1S/C19H33NO2S/c1-17(2)23(21,22)16-10-8-6-5-7-9-11-18-12-14-19(15-13-18)20(3)4/h12-15,17H,5-11,16H2,1-4H3
InChIKeyLVMPXGPMHIKSDF-UHFFFAOYSA-N
XLogP4.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.55
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]butanoate
CID 59546172
4-heptyl-N,N-dimethylaniline
CID 20777180
1-phenyl-11-propan-2-ylsulfonylundecan-6-one
CID 58144246
1-methyl-4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]piperazine
CID 59545521
5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole
CID 158606349
2-methyl-6-(7-propan-2-ylsulfonylheptyl)quinoline
CID 158614788
4-(6-bromohexyl)-N,N-dimethylaniline
CID 142754958
(2S,6R)-2,6-dimethyl-4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]morpholine
CID 59546337
2-fluoro-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene
CID 59549855
3-(7-propan-2-ylsulfonylheptyl)quinoline
CID 158614787
(2R,6S)-2,6-dimethyl-4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]sulfonylmorpholine
CID 161233704
1-butoxy-3-(7-propan-2-ylsulfonylheptyl)benzene
CID 161332451

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(8-propan-2-ylsulfonyloctyl)aniline?
The IUPAC name of N,N-dimethyl-4-(8-propan-2-ylsulfonyloctyl)aniline (CID 59545884) is N,N-dimethyl-4-(8-propan-2-ylsulfonyloctyl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(8-propan-2-ylsulfonyloctyl)aniline?
The canonical SMILES for N,N-dimethyl-4-(8-propan-2-ylsulfonyloctyl)aniline is CC(C)S(=O)(=O)CCCCCCCCc1ccc(N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-(8-propan-2-ylsulfonyloctyl)aniline?
The InChIKey is LVMPXGPMHIKSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2S/c1-17(2)23(21,22)16-10-8-6-5-7-9-11-18-12-14-19(15-13-18)20(3)4/h12-15,17H,5-11,16H2,1-4H3.
What are the key properties of N,N-dimethyl-4-(8-propan-2-ylsulfonyloctyl)aniline?
N,N-dimethyl-4-(8-propan-2-ylsulfonyloctyl)aniline has a molecular weight of 339.55 g/mol, XLogP of 4.46, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(8-propan-2-ylsulfonyloctyl)aniline is sourced from PubChem (CID 59545884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).