1-methoxy-5-propan-2-ylsulfonyl-N-propylpentan-2-amine

C12H27NO3S — CID 106727271

IUPAC1-methoxy-5-propan-2-ylsulfonyl-N-propylpentan-2-amine
SMILESCCCNC(CCCS(=O)(=O)C(C)C)COC
InChIInChI=1S/C12H27NO3S/c1-5-8-13-12(10-16-4)7-6-9-17(14,15)11(2)3/h11-13H,5-10H2,1-4H3
InChIKeyTVQQOGTULDCDKR-UHFFFAOYSA-N
MW265.42 g/mol
LogP1.60
Rot. Bonds10

About 1-methoxy-5-propan-2-ylsulfonyl-N-propylpentan-2-amine

1-methoxy-5-propan-2-ylsulfonyl-N-propylpentan-2-amine (PubChem CID 106727271) has the molecular formula C12H27NO3S and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-methoxy-5-propan-2-ylsulfonyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-methoxy-5-propan-2-ylsulfonyl-N-propylpentan-2-amine
PubChem CID106727271
Molecular FormulaC12H27NO3S
Molecular Weight265.42 g/mol
Exact Mass265.17
IUPAC Name1-methoxy-5-propan-2-ylsulfonyl-N-propylpentan-2-amine
SMILESCCCNC(CCCS(=O)(=O)C(C)C)COC
InChIInChI=1S/C12H27NO3S/c1-5-8-13-12(10-16-4)7-6-9-17(14,15)11(2)3/h11-13H,5-10H2,1-4H3
InChIKeyTVQQOGTULDCDKR-UHFFFAOYSA-N
XLogP1.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
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-methoxy-3-pentylsulfonyl-N-propylpropan-2-amine
CID 107758651
6-methoxy-1-methylsulfonyl-N-propylhexan-3-amine
CID 65092471
1-methoxy-3-(2-methoxyethylsulfonyl)-N-propylpropan-2-amine
CID 107508592
1-ethylsulfonyl-6-methoxy-N-propylheptan-4-amine
CID 113391491
3-(3-methoxypropylsulfonyl)-N-propylbutan-2-amine
CID 64674074
3-propan-2-ylsulfonyl-N-propylpropan-1-amine
CID 64675616
1-methoxy-N-(4-methoxybutyl)hexan-2-amine
CID 115709746
1-tert-butylsulfonyl-3-methoxy-N-propylpropan-2-amine
CID 107508526
1-ethylsulfonyl-6-methoxy-6-methyl-N-propylheptan-4-amine
CID 103027266
1-methoxy-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 62320759
1-methoxy-3-pentan-2-yloxy-N-propylpropan-2-amine
CID 107506976
1-methoxy-N-(2-methylsulfinylethyl)hexan-2-amine
CID 115720755

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5-propan-2-ylsulfonyl-N-propylpentan-2-amine?
The IUPAC name of 1-methoxy-5-propan-2-ylsulfonyl-N-propylpentan-2-amine (CID 106727271) is 1-methoxy-5-propan-2-ylsulfonyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-methoxy-5-propan-2-ylsulfonyl-N-propylpentan-2-amine?
The canonical SMILES for 1-methoxy-5-propan-2-ylsulfonyl-N-propylpentan-2-amine is CCCNC(CCCS(=O)(=O)C(C)C)COC.
What is the InChIKey of 1-methoxy-5-propan-2-ylsulfonyl-N-propylpentan-2-amine?
The InChIKey is TVQQOGTULDCDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3S/c1-5-8-13-12(10-16-4)7-6-9-17(14,15)11(2)3/h11-13H,5-10H2,1-4H3.
What are the key properties of 1-methoxy-5-propan-2-ylsulfonyl-N-propylpentan-2-amine?
1-methoxy-5-propan-2-ylsulfonyl-N-propylpentan-2-amine has a molecular weight of 265.42 g/mol, XLogP of 1.60, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5-propan-2-ylsulfonyl-N-propylpentan-2-amine is sourced from PubChem (CID 106727271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).