N-methyl-6-(4-methylsulfonylphenyl)sulfonylhexan-2-amine

C14H23NO4S2 — CID 64675701

IUPACN-methyl-6-(4-methylsulfonylphenyl)sulfonylhexan-2-amine
SMILESCNC(C)CCCCS(=O)(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO4S2/c1-12(15-2)6-4-5-11-21(18,19)14-9-7-13(8-10-14)20(3,16)17/h7-10,12,15H,4-6,11H2,1-3H3
InChIKeyYVXDLIUNZNXGEV-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.64
Rot. Bonds8

About N-methyl-6-(4-methylsulfonylphenyl)sulfonylhexan-2-amine

N-methyl-6-(4-methylsulfonylphenyl)sulfonylhexan-2-amine (PubChem CID 64675701) has the molecular formula C14H23NO4S2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-methyl-6-(4-methylsulfonylphenyl)sulfonylhexan-2-amine.

Molecular Properties

Compound NameN-methyl-6-(4-methylsulfonylphenyl)sulfonylhexan-2-amine
PubChem CID64675701
Molecular FormulaC14H23NO4S2
Molecular Weight333.48 g/mol
Exact Mass333.11
IUPAC NameN-methyl-6-(4-methylsulfonylphenyl)sulfonylhexan-2-amine
SMILESCNC(C)CCCCS(=O)(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO4S2/c1-12(15-2)6-4-5-11-21(18,19)14-9-7-13(8-10-14)20(3,16)17/h7-10,12,15H,4-6,11H2,1-3H3
InChIKeyYVXDLIUNZNXGEV-UHFFFAOYSA-N
XLogP1.64
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-tert-butylphenyl)sulfonyl-N-methylpentan-2-amine
CID 64646630
6-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylhexan-2-amine
CID 64647032
N-methyl-2-(4-methylsulfonylphenyl)sulfonylethanamine
CID 64675325
6-(2,4-difluorophenyl)sulfonyl-N-methylhexan-2-amine
CID 64644461
6-(4-tert-butylphenyl)sulfonylhexan-2-ol
CID 106585373
N-methyl-1-(4-methylsulfonylphenyl)sulfanylpropan-2-amine
CID 64626576
methyl 6-(4-methylsulfonylphenyl)sulfonylhexanoate
CID 74762740
N-ethyl-5-(4-propan-2-ylphenyl)sulfonylpentan-2-amine
CID 64640593
N-(6-methylheptan-2-yl)-4-propylsulfonylaniline
CID 63540868
N-octan-2-yl-4-propylsulfonylaniline
CID 63541969
5-(4-chlorophenyl)sulfonylpentan-2-ol
CID 106584912
6-(4-methylsulfonylphenyl)sulfonylhexan-3-one
CID 106808579

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(4-methylsulfonylphenyl)sulfonylhexan-2-amine?
The IUPAC name of N-methyl-6-(4-methylsulfonylphenyl)sulfonylhexan-2-amine (CID 64675701) is N-methyl-6-(4-methylsulfonylphenyl)sulfonylhexan-2-amine.
What is the SMILES notation for N-methyl-6-(4-methylsulfonylphenyl)sulfonylhexan-2-amine?
The canonical SMILES for N-methyl-6-(4-methylsulfonylphenyl)sulfonylhexan-2-amine is CNC(C)CCCCS(=O)(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-methyl-6-(4-methylsulfonylphenyl)sulfonylhexan-2-amine?
The InChIKey is YVXDLIUNZNXGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S2/c1-12(15-2)6-4-5-11-21(18,19)14-9-7-13(8-10-14)20(3,16)17/h7-10,12,15H,4-6,11H2,1-3H3.
What are the key properties of N-methyl-6-(4-methylsulfonylphenyl)sulfonylhexan-2-amine?
N-methyl-6-(4-methylsulfonylphenyl)sulfonylhexan-2-amine has a molecular weight of 333.48 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(4-methylsulfonylphenyl)sulfonylhexan-2-amine is sourced from PubChem (CID 64675701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).