N-[2-(2-methoxyethylsulfonyl)propyl]butan-1-amine

C10H23NO3S — CID 106513193

IUPACN-[2-(2-methoxyethylsulfonyl)propyl]butan-1-amine
SMILESCCCCNCC(C)S(=O)(=O)CCOC
InChIInChI=1S/C10H23NO3S/c1-4-5-6-11-9-10(2)15(12,13)8-7-14-3/h10-11H,4-9H2,1-3H3
InChIKeyRHKIPSORJKOGMG-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.83
Rot. Bonds9

About N-[2-(2-methoxyethylsulfonyl)propyl]butan-1-amine

N-[2-(2-methoxyethylsulfonyl)propyl]butan-1-amine (PubChem CID 106513193) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is N-[2-(2-methoxyethylsulfonyl)propyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethylsulfonyl)propyl]butan-1-amine
PubChem CID106513193
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC NameN-[2-(2-methoxyethylsulfonyl)propyl]butan-1-amine
SMILESCCCCNCC(C)S(=O)(=O)CCOC
InChIInChI=1S/C10H23NO3S/c1-4-5-6-11-9-10(2)15(12,13)8-7-14-3/h10-11H,4-9H2,1-3H3
InChIKeyRHKIPSORJKOGMG-UHFFFAOYSA-N
XLogP0.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.83
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

2-(2-methoxyethylsulfonyl)-N-propan-2-ylpropan-1-amine
CID 106513190
N-(3-methoxypropyl)-2-propan-2-ylsulfonylpropan-1-amine
CID 106513164
1-(butylamino)-3-methoxypropane-2-sulfonic acid
CID 154389159
3-(2-methoxyethylsulfonyl)-N-propylbutan-2-amine
CID 64646533
N-(2-butan-2-ylsulfonylethyl)pentan-1-amine
CID 106512745
2-pentylsulfonyl-N-prop-2-ynylpropan-1-amine
CID 107757199
2-N-butan-2-yl-1-N-butyl-2-N-(2-methoxyethyl)propane-1,2-diamine
CID 55087275
2-(2-methoxyethylsulfonyl)-N-propylpentan-3-amine
CID 64647490
1-N-butyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)propane-1,2-diamine
CID 62569030
sodium;1-(dodecylamino)propane-2-sulfonic acid;hydride
CID 173386884
N-(2-methoxyethyl)-2-(3-methylbutan-2-ylsulfonyl)propan-1-amine
CID 107757359
N,N'-dibutyl-2-methylpropane-1,3-diamine
CID 22075510

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylsulfonyl)propyl]butan-1-amine?
The IUPAC name of N-[2-(2-methoxyethylsulfonyl)propyl]butan-1-amine (CID 106513193) is N-[2-(2-methoxyethylsulfonyl)propyl]butan-1-amine.
What is the SMILES notation for N-[2-(2-methoxyethylsulfonyl)propyl]butan-1-amine?
The canonical SMILES for N-[2-(2-methoxyethylsulfonyl)propyl]butan-1-amine is CCCCNCC(C)S(=O)(=O)CCOC.
What is the InChIKey of N-[2-(2-methoxyethylsulfonyl)propyl]butan-1-amine?
The InChIKey is RHKIPSORJKOGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-4-5-6-11-9-10(2)15(12,13)8-7-14-3/h10-11H,4-9H2,1-3H3.
What are the key properties of N-[2-(2-methoxyethylsulfonyl)propyl]butan-1-amine?
N-[2-(2-methoxyethylsulfonyl)propyl]butan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 0.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylsulfonyl)propyl]butan-1-amine is sourced from PubChem (CID 106513193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).