1-methoxy-3-pentylsulfonyl-N-propylpropan-2-amine

C12H27NO3S — CID 107758651

IUPAC1-methoxy-3-pentylsulfonyl-N-propylpropan-2-amine
SMILESCCCCCS(=O)(=O)CC(COC)NCCC
InChIInChI=1S/C12H27NO3S/c1-4-6-7-9-17(14,15)11-12(10-16-3)13-8-5-2/h12-13H,4-11H2,1-3H3
InChIKeyRXEXCAAAGRVQBT-UHFFFAOYSA-N
MW265.42 g/mol
LogP1.61
Rot. Bonds11

About 1-methoxy-3-pentylsulfonyl-N-propylpropan-2-amine

1-methoxy-3-pentylsulfonyl-N-propylpropan-2-amine (PubChem CID 107758651) has the molecular formula C12H27NO3S and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-methoxy-3-pentylsulfonyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-pentylsulfonyl-N-propylpropan-2-amine
PubChem CID107758651
Molecular FormulaC12H27NO3S
Molecular Weight265.42 g/mol
Exact Mass265.17
IUPAC Name1-methoxy-3-pentylsulfonyl-N-propylpropan-2-amine
SMILESCCCCCS(=O)(=O)CC(COC)NCCC
InChIInChI=1S/C12H27NO3S/c1-4-6-7-9-17(14,15)11-12(10-16-3)13-8-5-2/h12-13H,4-11H2,1-3H3
InChIKeyRXEXCAAAGRVQBT-UHFFFAOYSA-N
XLogP1.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-3-(2-methoxyethylsulfonyl)-N-propylpropan-2-amine
CID 107508592
1-tert-butylsulfonyl-3-methoxy-N-propylpropan-2-amine
CID 107508526
1-methoxy-5-propan-2-ylsulfonyl-N-propylpentan-2-amine
CID 106727271
N-ethyl-1-(3-methoxypropylsulfonyl)pentan-2-amine
CID 64675460
1-methoxy-3-(4-methoxyphenyl)sulfonyl-N-propylpropan-2-amine
CID 107508514
1-N,1-N-dibutyl-3-methoxy-2-N-propylpropane-1,2-diamine
CID 107505330
5-ethylsulfonyl-1-methylsulfonyl-N-propylpentan-2-amine
CID 115646739
6-methoxy-1-methylsulfonyl-N-propylhexan-3-amine
CID 65092471
N-(1-chloro-3-methoxypropan-2-yl)nonan-1-amine
CID 106180457
3-methoxy-2-(nonylamino)propan-1-ol
CID 106190641
2-(decylamino)-3-methoxypropan-1-ol
CID 114155671
1-methoxy-N-propyldodecan-4-amine
CID 65091880

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-pentylsulfonyl-N-propylpropan-2-amine?
The IUPAC name of 1-methoxy-3-pentylsulfonyl-N-propylpropan-2-amine (CID 107758651) is 1-methoxy-3-pentylsulfonyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-methoxy-3-pentylsulfonyl-N-propylpropan-2-amine?
The canonical SMILES for 1-methoxy-3-pentylsulfonyl-N-propylpropan-2-amine is CCCCCS(=O)(=O)CC(COC)NCCC.
What is the InChIKey of 1-methoxy-3-pentylsulfonyl-N-propylpropan-2-amine?
The InChIKey is RXEXCAAAGRVQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3S/c1-4-6-7-9-17(14,15)11-12(10-16-3)13-8-5-2/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-methoxy-3-pentylsulfonyl-N-propylpropan-2-amine?
1-methoxy-3-pentylsulfonyl-N-propylpropan-2-amine has a molecular weight of 265.42 g/mol, XLogP of 1.61, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-pentylsulfonyl-N-propylpropan-2-amine is sourced from PubChem (CID 107758651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).