1-tert-butylsulfonyl-3-methoxy-N-propylpropan-2-amine

C11H25NO3S — CID 107508526

IUPAC1-tert-butylsulfonyl-3-methoxy-N-propylpropan-2-amine
SMILESCCCNC(COC)CS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H25NO3S/c1-6-7-12-10(8-15-5)9-16(13,14)11(2,3)4/h10,12H,6-9H2,1-5H3
InChIKeyXRFFBNBUEKVROQ-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.21
Rot. Bonds7

About 1-tert-butylsulfonyl-3-methoxy-N-propylpropan-2-amine

1-tert-butylsulfonyl-3-methoxy-N-propylpropan-2-amine (PubChem CID 107508526) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-tert-butylsulfonyl-3-methoxy-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-tert-butylsulfonyl-3-methoxy-N-propylpropan-2-amine
PubChem CID107508526
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC Name1-tert-butylsulfonyl-3-methoxy-N-propylpropan-2-amine
SMILESCCCNC(COC)CS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H25NO3S/c1-6-7-12-10(8-15-5)9-16(13,14)11(2,3)4/h10,12H,6-9H2,1-5H3
InChIKeyXRFFBNBUEKVROQ-UHFFFAOYSA-N
XLogP1.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylsulfonylethyl)-1-methoxybutan-2-amine
CID 115889765
1-methoxy-3-(2-methoxyethylsulfonyl)-N-propylpropan-2-amine
CID 107508592
1-methoxy-3-pentylsulfonyl-N-propylpropan-2-amine
CID 107758651
1-methoxy-3-(4-methoxyphenyl)sulfonyl-N-propylpropan-2-amine
CID 107508514
1-methoxy-5-propan-2-ylsulfonyl-N-propylpentan-2-amine
CID 106727271
3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-yl-2-N-propylpropane-1,2-diamine
CID 107505564
1-tert-butylsulfonyl-N-propylheptan-4-amine
CID 106727136
1-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505371
1-N-(3,3-dimethylbutan-2-yl)-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 107505584
3-methoxy-1-N-methyl-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505365
1-methoxy-3-(4-methylsulfonylphenyl)-N-propylpropan-2-amine
CID 63197601
1-N-[2-(dimethylamino)ethyl]-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505592

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfonyl-3-methoxy-N-propylpropan-2-amine?
The IUPAC name of 1-tert-butylsulfonyl-3-methoxy-N-propylpropan-2-amine (CID 107508526) is 1-tert-butylsulfonyl-3-methoxy-N-propylpropan-2-amine.
What is the SMILES notation for 1-tert-butylsulfonyl-3-methoxy-N-propylpropan-2-amine?
The canonical SMILES for 1-tert-butylsulfonyl-3-methoxy-N-propylpropan-2-amine is CCCNC(COC)CS(=O)(=O)C(C)(C)C.
What is the InChIKey of 1-tert-butylsulfonyl-3-methoxy-N-propylpropan-2-amine?
The InChIKey is XRFFBNBUEKVROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-6-7-12-10(8-15-5)9-16(13,14)11(2,3)4/h10,12H,6-9H2,1-5H3.
What are the key properties of 1-tert-butylsulfonyl-3-methoxy-N-propylpropan-2-amine?
1-tert-butylsulfonyl-3-methoxy-N-propylpropan-2-amine has a molecular weight of 251.39 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfonyl-3-methoxy-N-propylpropan-2-amine is sourced from PubChem (CID 107508526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).