2-methoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine

C12H27NO3S — CID 79197227

IUPAC2-methoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine
SMILESCCCNC(CCCS(C)(=O)=O)C(C)(C)OC
InChIInChI=1S/C12H27NO3S/c1-6-9-13-11(12(2,3)16-4)8-7-10-17(5,14)15/h11,13H,6-10H2,1-5H3
InChIKeyQSWVFUTWNRQNEH-UHFFFAOYSA-N
MW265.42 g/mol
LogP1.60
Rot. Bonds9

About 2-methoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine

2-methoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine (PubChem CID 79197227) has the molecular formula C12H27NO3S and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-methoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine.

Molecular Properties

Compound Name2-methoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine
PubChem CID79197227
Molecular FormulaC12H27NO3S
Molecular Weight265.42 g/mol
Exact Mass265.17
IUPAC Name2-methoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine
SMILESCCCNC(CCCS(C)(=O)=O)C(C)(C)OC
InChIInChI=1S/C12H27NO3S/c1-6-9-13-11(12(2,3)16-4)8-7-10-17(5,14)15/h11,13H,6-10H2,1-5H3
InChIKeyQSWVFUTWNRQNEH-UHFFFAOYSA-N
XLogP1.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine
CID 116727096
2-methoxy-2-methyl-N-propyldecan-3-amine
CID 79198158
2-methyl-6-methylsulfonyl-2-phenyl-N-propylhexan-3-amine
CID 63192548
4-methoxy-4-methyl-1-methylsulfonyl-N-propylhexan-3-amine
CID 116758182
7,7,7-trifluoro-2-methoxy-2-methyl-N-propylheptan-3-amine
CID 113327134
2-methyl-6-methylsulfonyl-N-propyl-2-pyrrolidin-1-ylhexan-3-amine
CID 79045743
2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine
CID 103032439
2-methoxy-2-methyl-N-propyldec-9-en-3-amine
CID 107009419
5-methoxy-N,5-dimethyl-1-methylsulfonylheptan-4-amine
CID 116757678
2-methoxy-2-methyl-6-phenyl-N-propylhexan-3-amine
CID 79198405
4-methyl-7-methylsulfonyl-N-propylheptan-3-amine
CID 63562509
2-methoxy-2-methyl-N-propylhex-5-en-3-amine
CID 79198169

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine?
The IUPAC name of 2-methoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine (CID 79197227) is 2-methoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine.
What is the SMILES notation for 2-methoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine?
The canonical SMILES for 2-methoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine is CCCNC(CCCS(C)(=O)=O)C(C)(C)OC.
What is the InChIKey of 2-methoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine?
The InChIKey is QSWVFUTWNRQNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3S/c1-6-9-13-11(12(2,3)16-4)8-7-10-17(5,14)15/h11,13H,6-10H2,1-5H3.
What are the key properties of 2-methoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine?
2-methoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine has a molecular weight of 265.42 g/mol, XLogP of 1.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine is sourced from PubChem (CID 79197227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).