1-(cyclopropylmethoxy)-3-(3-methylsulfonylpropylamino)propan-2-ol

C11H23NO4S — CID 54905370

IUPAC1-(cyclopropylmethoxy)-3-(3-methylsulfonylpropylamino)propan-2-ol
SMILESCS(=O)(=O)CCCNCC(O)COCC1CC1
InChIInChI=1S/C11H23NO4S/c1-17(14,15)6-2-5-12-7-11(13)9-16-8-10-3-4-10/h10-13H,2-9H2,1H3
InChIKeyBAUQWWMWJQEROS-UHFFFAOYSA-N
MW265.37 g/mol
LogP-0.20
Rot. Bonds10

About 1-(cyclopropylmethoxy)-3-(3-methylsulfonylpropylamino)propan-2-ol

1-(cyclopropylmethoxy)-3-(3-methylsulfonylpropylamino)propan-2-ol (PubChem CID 54905370) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-(3-methylsulfonylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-(3-methylsulfonylpropylamino)propan-2-ol
PubChem CID54905370
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name1-(cyclopropylmethoxy)-3-(3-methylsulfonylpropylamino)propan-2-ol
SMILESCS(=O)(=O)CCCNCC(O)COCC1CC1
InChIInChI=1S/C11H23NO4S/c1-17(14,15)6-2-5-12-7-11(13)9-16-8-10-3-4-10/h10-13H,2-9H2,1H3
InChIKeyBAUQWWMWJQEROS-UHFFFAOYSA-N
XLogP-0.20
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(cyclopropylmethoxy)-3-(3-methylsulfonylpropylamino)propan-2-ol 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-(4-methylpentoxy)-3-(3-methylsulfonylpropylamino)propan-2-ol
CID 54905327
1-(cyclopropylmethoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60633025
1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutylamino)propan-2-ol
CID 115518339
1-ethoxy-3-(2-methylsulfonylethylamino)propan-2-ol
CID 63934625
1-(cyclohexylmethoxy)-3-(propylamino)propan-2-ol
CID 62382060
1-(cyclopropylmethoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol
CID 112684548
1-cyclopentyloxy-3-(2-methylsulfonylethylamino)propan-2-ol
CID 54934973
N-(cyclopentylmethyl)-3-methylsulfonylpropan-1-amine
CID 61342623
N-(cyclobutylmethyl)-3-methylsulfonylpropan-1-amine
CID 63190759
1-[2-(cyclopropylmethoxy)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol
CID 114097862
1-(oxan-4-ylmethoxy)-3-(propylamino)propan-2-ol
CID 62382435
3-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]-1-piperidin-1-ylpropan-1-one
CID 115585636

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-(3-methylsulfonylpropylamino)propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-(3-methylsulfonylpropylamino)propan-2-ol (CID 54905370) is 1-(cyclopropylmethoxy)-3-(3-methylsulfonylpropylamino)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-(3-methylsulfonylpropylamino)propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-(3-methylsulfonylpropylamino)propan-2-ol is CS(=O)(=O)CCCNCC(O)COCC1CC1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-(3-methylsulfonylpropylamino)propan-2-ol?
The InChIKey is BAUQWWMWJQEROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-17(14,15)6-2-5-12-7-11(13)9-16-8-10-3-4-10/h10-13H,2-9H2,1H3.
What are the key properties of 1-(cyclopropylmethoxy)-3-(3-methylsulfonylpropylamino)propan-2-ol?
1-(cyclopropylmethoxy)-3-(3-methylsulfonylpropylamino)propan-2-ol has a molecular weight of 265.37 g/mol, XLogP of -0.20, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-(3-methylsulfonylpropylamino)propan-2-ol is sourced from PubChem (CID 54905370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).