N-methyl-6-(2-methylsulfonylethylsulfinyl)hexan-2-amine

C10H23NO3S2 — CID 64658367

IUPACN-methyl-6-(2-methylsulfonylethylsulfinyl)hexan-2-amine
SMILESCNC(C)CCCCS(=O)CCS(C)(=O)=O
InChIInChI=1S/C10H23NO3S2/c1-10(11-2)6-4-5-7-15(12)8-9-16(3,13)14/h10-11H,4-9H2,1-3H3
InChIKeyHWURPDNPOXGNRO-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.56
Rot. Bonds9

About N-methyl-6-(2-methylsulfonylethylsulfinyl)hexan-2-amine

N-methyl-6-(2-methylsulfonylethylsulfinyl)hexan-2-amine (PubChem CID 64658367) has the molecular formula C10H23NO3S2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-methyl-6-(2-methylsulfonylethylsulfinyl)hexan-2-amine.

Molecular Properties

Compound NameN-methyl-6-(2-methylsulfonylethylsulfinyl)hexan-2-amine
PubChem CID64658367
Molecular FormulaC10H23NO3S2
Molecular Weight269.43 g/mol
Exact Mass269.11
IUPAC NameN-methyl-6-(2-methylsulfonylethylsulfinyl)hexan-2-amine
SMILESCNC(C)CCCCS(=O)CCS(C)(=O)=O
InChIInChI=1S/C10H23NO3S2/c1-10(11-2)6-4-5-7-15(12)8-9-16(3,13)14/h10-11H,4-9H2,1-3H3
InChIKeyHWURPDNPOXGNRO-UHFFFAOYSA-N
XLogP0.56
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethyl-7-methylsulfonylheptan-2-amine
CID 64721410
6-[(2-chlorophenyl)methylsulfinyl]-N-methylhexan-2-amine
CID 103290309
N-methyl-6-(4-methylsulfonylphenyl)sulfonylhexan-2-amine
CID 64675701
5-butan-2-ylsulfinyl-N-methylpentan-2-amine
CID 64660321
3-methyl-1-methylsulfonylbutane
CID 20712453
N-(2-methylsulfonylethyl)nonan-2-amine
CID 60920601
2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)pentan-1-amine
CID 81328173
N-methyltetradecan-2-amine
CID 54073704
N-methyloct-7-en-2-amine
CID 64502847
N-(3-methylsulfonylpropyl)octan-2-amine
CID 61019374
N-methyl-5-(1-methylcyclopropyl)pentan-2-amine
CID 121451182
6-(3-chlorophenyl)sulfinyl-N-methylhexan-2-amine
CID 64660134

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-methylsulfonylethylsulfinyl)hexan-2-amine?
The IUPAC name of N-methyl-6-(2-methylsulfonylethylsulfinyl)hexan-2-amine (CID 64658367) is N-methyl-6-(2-methylsulfonylethylsulfinyl)hexan-2-amine.
What is the SMILES notation for N-methyl-6-(2-methylsulfonylethylsulfinyl)hexan-2-amine?
The canonical SMILES for N-methyl-6-(2-methylsulfonylethylsulfinyl)hexan-2-amine is CNC(C)CCCCS(=O)CCS(C)(=O)=O.
What is the InChIKey of N-methyl-6-(2-methylsulfonylethylsulfinyl)hexan-2-amine?
The InChIKey is HWURPDNPOXGNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S2/c1-10(11-2)6-4-5-7-15(12)8-9-16(3,13)14/h10-11H,4-9H2,1-3H3.
What are the key properties of N-methyl-6-(2-methylsulfonylethylsulfinyl)hexan-2-amine?
N-methyl-6-(2-methylsulfonylethylsulfinyl)hexan-2-amine has a molecular weight of 269.43 g/mol, XLogP of 0.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-methylsulfonylethylsulfinyl)hexan-2-amine is sourced from PubChem (CID 64658367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).