1-methoxy-3-(2-methoxyethylsulfonyl)-N-propylpropan-2-amine

C10H23NO4S — CID 107508592

IUPAC1-methoxy-3-(2-methoxyethylsulfonyl)-N-propylpropan-2-amine
SMILESCCCNC(COC)CS(=O)(=O)CCOC
InChIInChI=1S/C10H23NO4S/c1-4-5-11-10(8-15-3)9-16(12,13)7-6-14-2/h10-11H,4-9H2,1-3H3
InChIKeySUXRHQVSXWGCKQ-UHFFFAOYSA-N
MW253.36 g/mol
LogP0.06
Rot. Bonds10

About 1-methoxy-3-(2-methoxyethylsulfonyl)-N-propylpropan-2-amine

1-methoxy-3-(2-methoxyethylsulfonyl)-N-propylpropan-2-amine (PubChem CID 107508592) has the molecular formula C10H23NO4S and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-methoxy-3-(2-methoxyethylsulfonyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-(2-methoxyethylsulfonyl)-N-propylpropan-2-amine
PubChem CID107508592
Molecular FormulaC10H23NO4S
Molecular Weight253.36 g/mol
Exact Mass253.13
IUPAC Name1-methoxy-3-(2-methoxyethylsulfonyl)-N-propylpropan-2-amine
SMILESCCCNC(COC)CS(=O)(=O)CCOC
InChIInChI=1S/C10H23NO4S/c1-4-5-11-10(8-15-3)9-16(12,13)7-6-14-2/h10-11H,4-9H2,1-3H3
InChIKeySUXRHQVSXWGCKQ-UHFFFAOYSA-N
XLogP0.06
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methoxy-3-(2-methoxyethylsulfonyl)-N-propylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-3-pentylsulfonyl-N-propylpropan-2-amine
CID 107758651
1-tert-butylsulfonyl-3-methoxy-N-propylpropan-2-amine
CID 107508526
3-(2-methoxyethylsulfonyl)-N-propylbutan-2-amine
CID 64646533
1-methoxy-5-propan-2-ylsulfonyl-N-propylpentan-2-amine
CID 106727271
1-methoxy-3-(4-methoxyphenyl)sulfonyl-N-propylpropan-2-amine
CID 107508514
2-(2-methoxyethylsulfonyl)-N-propylpentan-3-amine
CID 64647490
6-methoxy-1-methylsulfonyl-N-propylhexan-3-amine
CID 65092471
N-ethyl-1-(3-methoxypropylsulfonyl)pentan-2-amine
CID 64675460
1-methoxy-3-(4-methylsulfonylphenyl)-N-propylpropan-2-amine
CID 63197601
3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-yl-2-N-propylpropane-1,2-diamine
CID 107505564
3-(3-methoxypropylsulfonyl)-N-propylbutan-2-amine
CID 64674074
1-methoxy-N-methyl-3-(3-methylbutylsulfonyl)propan-2-amine
CID 107760207

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(2-methoxyethylsulfonyl)-N-propylpropan-2-amine?
The IUPAC name of 1-methoxy-3-(2-methoxyethylsulfonyl)-N-propylpropan-2-amine (CID 107508592) is 1-methoxy-3-(2-methoxyethylsulfonyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-methoxy-3-(2-methoxyethylsulfonyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-methoxy-3-(2-methoxyethylsulfonyl)-N-propylpropan-2-amine is CCCNC(COC)CS(=O)(=O)CCOC.
What is the InChIKey of 1-methoxy-3-(2-methoxyethylsulfonyl)-N-propylpropan-2-amine?
The InChIKey is SUXRHQVSXWGCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4S/c1-4-5-11-10(8-15-3)9-16(12,13)7-6-14-2/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-methoxy-3-(2-methoxyethylsulfonyl)-N-propylpropan-2-amine?
1-methoxy-3-(2-methoxyethylsulfonyl)-N-propylpropan-2-amine has a molecular weight of 253.36 g/mol, XLogP of 0.06, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(2-methoxyethylsulfonyl)-N-propylpropan-2-amine is sourced from PubChem (CID 107508592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).