4-methoxy-4-methyl-1-methylsulfonyl-N-propylhexan-3-amine

C12H27NO3S — CID 116758182

IUPAC4-methoxy-4-methyl-1-methylsulfonyl-N-propylhexan-3-amine
SMILESCCCNC(CCS(C)(=O)=O)C(C)(CC)OC
InChIInChI=1S/C12H27NO3S/c1-6-9-13-11(8-10-17(5,14)15)12(3,7-2)16-4/h11,13H,6-10H2,1-5H3
InChIKeyHHVHIDBDYJPMGO-UHFFFAOYSA-N
MW265.42 g/mol
LogP1.60
Rot. Bonds9

About 4-methoxy-4-methyl-1-methylsulfonyl-N-propylhexan-3-amine

4-methoxy-4-methyl-1-methylsulfonyl-N-propylhexan-3-amine (PubChem CID 116758182) has the molecular formula C12H27NO3S and a molecular weight of 265.42 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-methylsulfonyl-N-propylhexan-3-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-methylsulfonyl-N-propylhexan-3-amine
PubChem CID116758182
Molecular FormulaC12H27NO3S
Molecular Weight265.42 g/mol
Exact Mass265.17
IUPAC Name4-methoxy-4-methyl-1-methylsulfonyl-N-propylhexan-3-amine
SMILESCCCNC(CCS(C)(=O)=O)C(C)(CC)OC
InChIInChI=1S/C12H27NO3S/c1-6-9-13-11(8-10-17(5,14)15)12(3,7-2)16-4/h11,13H,6-10H2,1-5H3
InChIKeyHHVHIDBDYJPMGO-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

2,2,5,5-tetramethyl-N-(2-methyl-3-methylsulfonylpropyl)oxolan-3-amine
CID 86803384
N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine
CID 43146974
N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothian-4-amine
CID 43614802
N-(2-methoxyethyl)-2-methylsulfonyl-2-propylpentan-1-amine
CID 55091320
2-(2-ethylsulfonylethyl)-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 55111343
2,2-diethyl-N-(2-methoxyethyl)-5-methylsulfonylpentan-1-amine
CID 55161391
2-ethyl-N-(2-methoxyethyl)-2-methyl-5-methylsulfonylpentan-1-amine
CID 55161392
4-methoxy-4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine
CID 60920039
4-methoxy-4-methyl-N-(3-methylsulfonylpropyl)pentan-2-amine
CID 61020072
1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxypropan-2-amine
CID 62318735
N-ethyl-1-methoxy-5-methylsulfonylpentan-2-amine
CID 62318736
1-(1,1-dioxothiolan-3-yl)-3-methoxy-N-propylpropan-2-amine
CID 62320376

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-methylsulfonyl-N-propylhexan-3-amine?
The IUPAC name of 4-methoxy-4-methyl-1-methylsulfonyl-N-propylhexan-3-amine (CID 116758182) is 4-methoxy-4-methyl-1-methylsulfonyl-N-propylhexan-3-amine.
What is the SMILES notation for 4-methoxy-4-methyl-1-methylsulfonyl-N-propylhexan-3-amine?
The canonical SMILES for 4-methoxy-4-methyl-1-methylsulfonyl-N-propylhexan-3-amine is CCCNC(CCS(C)(=O)=O)C(C)(CC)OC.
What is the InChIKey of 4-methoxy-4-methyl-1-methylsulfonyl-N-propylhexan-3-amine?
The InChIKey is HHVHIDBDYJPMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3S/c1-6-9-13-11(8-10-17(5,14)15)12(3,7-2)16-4/h11,13H,6-10H2,1-5H3.
What are the key properties of 4-methoxy-4-methyl-1-methylsulfonyl-N-propylhexan-3-amine?
4-methoxy-4-methyl-1-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 4-methoxy-4-methyl-1-methylsulfonyl-N-propylhexan-3-amine is sourced from PubChem (CID 116758182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).