1-[(2-methylpropan-2-yl)oxy]-4-methylsulfonyl-N-propylbutan-2-amine

C12H27NO3S — CID 114984289

IUPAC1-[(2-methylpropan-2-yl)oxy]-4-methylsulfonyl-N-propylbutan-2-amine
SMILESCCCNC(CCS(C)(=O)=O)COC(C)(C)C
InChIInChI=1S/C12H27NO3S/c1-6-8-13-11(7-9-17(5,14)15)10-16-12(2,3)4/h11,13H,6-10H2,1-5H3
InChIKeyWWRNRACZWFOUPO-UHFFFAOYSA-N
MW265.42 g/mol
LogP1.60
Rot. Bonds8

About 1-[(2-methylpropan-2-yl)oxy]-4-methylsulfonyl-N-propylbutan-2-amine

1-[(2-methylpropan-2-yl)oxy]-4-methylsulfonyl-N-propylbutan-2-amine (PubChem CID 114984289) has the molecular formula C12H27NO3S and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-4-methylsulfonyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-4-methylsulfonyl-N-propylbutan-2-amine
PubChem CID114984289
Molecular FormulaC12H27NO3S
Molecular Weight265.42 g/mol
Exact Mass265.17
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-4-methylsulfonyl-N-propylbutan-2-amine
SMILESCCCNC(CCS(C)(=O)=O)COC(C)(C)C
InChIInChI=1S/C12H27NO3S/c1-6-8-13-11(7-9-17(5,14)15)10-16-12(2,3)4/h11,13H,6-10H2,1-5H3
InChIKeyWWRNRACZWFOUPO-UHFFFAOYSA-N
XLogP1.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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

1-ethoxy-5-methylsulfonyl-N-propylpentan-3-amine
CID 114984093
4-cyclopropyl-1-[(2-methylpropan-2-yl)oxy]-N-propylbutan-2-amine
CID 105157860
5,7,7-trimethyl-1-methylsulfonyl-N-propyloctan-3-amine
CID 115848596
6-methoxy-1-methylsulfonyl-N-propylhexan-3-amine
CID 65092471
4-methylsulfonyl-1-propan-2-ylsulfanyl-N-propylbutan-2-amine
CID 65131331
4-methoxy-4-methyl-1-methylsulfonyl-N-propylhexan-3-amine
CID 116758182
2-ethoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine
CID 116727096
2-methoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine
CID 79197227
6,6-dimethyl-1-methylsulfonyl-N-propylheptan-2-amine
CID 114211104
[5-ethylsulfonyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-yl]hydrazine
CID 105310977
1-[(2-methylpropan-2-yl)oxy]-N-propylheptan-4-amine
CID 112590468
4-methylsulfonyl-1-(oxolan-3-yl)-N-propylbutan-2-amine
CID 114982647

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-4-methylsulfonyl-N-propylbutan-2-amine?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-4-methylsulfonyl-N-propylbutan-2-amine (CID 114984289) is 1-[(2-methylpropan-2-yl)oxy]-4-methylsulfonyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-4-methylsulfonyl-N-propylbutan-2-amine?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-4-methylsulfonyl-N-propylbutan-2-amine is CCCNC(CCS(C)(=O)=O)COC(C)(C)C.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-4-methylsulfonyl-N-propylbutan-2-amine?
The InChIKey is WWRNRACZWFOUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3S/c1-6-8-13-11(7-9-17(5,14)15)10-16-12(2,3)4/h11,13H,6-10H2,1-5H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-4-methylsulfonyl-N-propylbutan-2-amine?
1-[(2-methylpropan-2-yl)oxy]-4-methylsulfonyl-N-propylbutan-2-amine has a molecular weight of 265.42 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-4-methylsulfonyl-N-propylbutan-2-amine is sourced from PubChem (CID 114984289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).