N-(3-methoxypropyl)-2-propan-2-ylsulfonylpropan-1-amine

C10H23NO3S — CID 106513164

IUPACN-(3-methoxypropyl)-2-propan-2-ylsulfonylpropan-1-amine
SMILESCOCCCNCC(C)S(=O)(=O)C(C)C
InChIInChI=1S/C10H23NO3S/c1-9(2)15(12,13)10(3)8-11-6-5-7-14-4/h9-11H,5-8H2,1-4H3
InChIKeyCWGMRBYQZQXTAL-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.82
Rot. Bonds8

About N-(3-methoxypropyl)-2-propan-2-ylsulfonylpropan-1-amine

N-(3-methoxypropyl)-2-propan-2-ylsulfonylpropan-1-amine (PubChem CID 106513164) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-propan-2-ylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-propan-2-ylsulfonylpropan-1-amine
PubChem CID106513164
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC NameN-(3-methoxypropyl)-2-propan-2-ylsulfonylpropan-1-amine
SMILESCOCCCNCC(C)S(=O)(=O)C(C)C
InChIInChI=1S/C10H23NO3S/c1-9(2)15(12,13)10(3)8-11-6-5-7-14-4/h9-11H,5-8H2,1-4H3
InChIKeyCWGMRBYQZQXTAL-UHFFFAOYSA-N
XLogP0.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.82
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

N-(2-methoxyethyl)-2-(3-methylbutan-2-ylsulfonyl)propan-1-amine
CID 107757359
N-[2-(2-methoxyethylsulfonyl)propyl]butan-1-amine
CID 106513193
N-(3-methoxypropyl)-2-methylsulfanylpropan-1-amine
CID 62581365
7-methoxy-N-(2-methylpropyl)heptan-1-amine
CID 104650031
2-chloro-3-methoxy-N-(3-methoxypropyl)propan-1-amine
CID 65023754
N-(3-ethylsulfonylpropyl)-3-methoxypropan-1-amine
CID 65092824
ethane;N-ethylformamide;N-(3-methoxypropyl)-2-methylpropan-1-amine
CID 163400199
2-N-cyclopropyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62569883
2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine
CID 104567209
N-(3-methoxypropyl)-2-(2-methylpropylsulfanyl)propan-1-amine
CID 62577772
N-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-2-methylpropan-1-amine
CID 104560835
3-(3-methoxypropylamino)propyl hydrogen sulfate
CID 153323846

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-propan-2-ylsulfonylpropan-1-amine?
The IUPAC name of N-(3-methoxypropyl)-2-propan-2-ylsulfonylpropan-1-amine (CID 106513164) is N-(3-methoxypropyl)-2-propan-2-ylsulfonylpropan-1-amine.
What is the SMILES notation for N-(3-methoxypropyl)-2-propan-2-ylsulfonylpropan-1-amine?
The canonical SMILES for N-(3-methoxypropyl)-2-propan-2-ylsulfonylpropan-1-amine is COCCCNCC(C)S(=O)(=O)C(C)C.
What is the InChIKey of N-(3-methoxypropyl)-2-propan-2-ylsulfonylpropan-1-amine?
The InChIKey is CWGMRBYQZQXTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-9(2)15(12,13)10(3)8-11-6-5-7-14-4/h9-11H,5-8H2,1-4H3.
What are the key properties of N-(3-methoxypropyl)-2-propan-2-ylsulfonylpropan-1-amine?
N-(3-methoxypropyl)-2-propan-2-ylsulfonylpropan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-propan-2-ylsulfonylpropan-1-amine is sourced from PubChem (CID 106513164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).