1-cyclopropyl-2-(3-methylsulfonylpropylamino)ethanol

C9H19NO3S — CID 63298542

IUPAC1-cyclopropyl-2-(3-methylsulfonylpropylamino)ethanol
SMILESCS(=O)(=O)CCCNCC(O)C1CC1
InChIInChI=1S/C9H19NO3S/c1-14(12,13)6-2-5-10-7-9(11)8-3-4-8/h8-11H,2-7H2,1H3
InChIKeyWGVCDFATWIFSGT-UHFFFAOYSA-N
MW221.32 g/mol
LogP-0.22
Rot. Bonds7

About 1-cyclopropyl-2-(3-methylsulfonylpropylamino)ethanol

1-cyclopropyl-2-(3-methylsulfonylpropylamino)ethanol (PubChem CID 63298542) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3-methylsulfonylpropylamino)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(3-methylsulfonylpropylamino)ethanol
PubChem CID63298542
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name1-cyclopropyl-2-(3-methylsulfonylpropylamino)ethanol
SMILESCS(=O)(=O)CCCNCC(O)C1CC1
InChIInChI=1S/C9H19NO3S/c1-14(12,13)6-2-5-10-7-9(11)8-3-4-8/h8-11H,2-7H2,1H3
InChIKeyWGVCDFATWIFSGT-UHFFFAOYSA-N
XLogP-0.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3-methylsulfonylpropylamino)ethanol?
The IUPAC name of 1-cyclopropyl-2-(3-methylsulfonylpropylamino)ethanol (CID 63298542) is 1-cyclopropyl-2-(3-methylsulfonylpropylamino)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(3-methylsulfonylpropylamino)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(3-methylsulfonylpropylamino)ethanol is CS(=O)(=O)CCCNCC(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(3-methylsulfonylpropylamino)ethanol?
The InChIKey is WGVCDFATWIFSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-14(12,13)6-2-5-10-7-9(11)8-3-4-8/h8-11H,2-7H2,1H3.
What are the key properties of 1-cyclopropyl-2-(3-methylsulfonylpropylamino)ethanol?
1-cyclopropyl-2-(3-methylsulfonylpropylamino)ethanol has a molecular weight of 221.32 g/mol, XLogP of -0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3-methylsulfonylpropylamino)ethanol is sourced from PubChem (CID 63298542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).