3-methylsulfonyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen

C15H38N2O5S — CID 178004452

IUPAC3-methylsulfonyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen
SMILESCC(C)NCCOCCOCCOCCNCCCS(C)(=O)=O.[H][H].[H][H]
InChIInChI=1S/C15H34N2O5S.2H2/c1-15(2)17-7-9-21-11-13-22-12-10-20-8-6-16-5-4-14-23(3,18)19;;/h15-17H,4-14H2,1-3H3;2*1H
InChIKeyRQSPUNPSYNWDKY-UHFFFAOYSA-N
MW358.55 g/mol
LogP0.55
Rot. Bonds17

About 3-methylsulfonyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen

3-methylsulfonyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen (PubChem CID 178004452) has the molecular formula C15H38N2O5S and a molecular weight of 358.55 g/mol. Its IUPAC name is 3-methylsulfonyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen.

Molecular Properties

Compound Name3-methylsulfonyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen
PubChem CID178004452
Molecular FormulaC15H38N2O5S
Molecular Weight358.55 g/mol
Exact Mass358.25
IUPAC Name3-methylsulfonyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen
SMILESCC(C)NCCOCCOCCOCCNCCCS(C)(=O)=O.[H][H].[H][H]
InChIInChI=1S/C15H34N2O5S.2H2/c1-15(2)17-7-9-21-11-13-22-12-10-20-8-6-16-5-4-14-23(3,18)19;;/h15-17H,4-14H2,1-3H3;2*1H
InChIKeyRQSPUNPSYNWDKY-UHFFFAOYSA-N
XLogP0.55
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-methylsulfonyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 178004453
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-methylsulfonylpropan-1-amine
CID 104561861
3-methylsulfonyl-N-(2-propoxyethyl)propan-1-amine
CID 106451726
3-(2-methoxyethoxy)-N-(3-methylsulfonylpropyl)propan-1-amine
CID 103409415
N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]methanesulfonamide
CID 170639490
N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine
CID 138727595
6-methylsulfonyl-N-propan-2-ylhexan-1-amine
CID 64505621
N-ethyl-2-(3-methylsulfonylpropoxy)ethanamine
CID 63191293
N-(2-methylsulfonylethyl)-2-(2-propoxyethoxy)ethanamine
CID 63685909
N-(2-methylsulfonylethyl)propan-2-amine
CID 60708370
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]propan-2-amine;molecular hydrogen
CID 171507882
ethane;N-(2-methylsulfonylethyl)propan-2-amine
CID 142531419

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen?
The IUPAC name of 3-methylsulfonyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen (CID 178004452) is 3-methylsulfonyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen.
What is the SMILES notation for 3-methylsulfonyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen?
The canonical SMILES for 3-methylsulfonyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen is CC(C)NCCOCCOCCOCCNCCCS(C)(=O)=O.[H][H].[H][H].
What is the InChIKey of 3-methylsulfonyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen?
The InChIKey is RQSPUNPSYNWDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O5S.2H2/c1-15(2)17-7-9-21-11-13-22-12-10-20-8-6-16-5-4-14-23(3,18)19;;/h15-17H,4-14H2,1-3H3;2*1H.
What are the key properties of 3-methylsulfonyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen?
3-methylsulfonyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen has a molecular weight of 358.55 g/mol, XLogP of 0.55, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen is sourced from PubChem (CID 178004452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).