3-(1-ethylsulfonylpropan-2-ylamino)propan-1-ol

C8H19NO3S — CID 115900563

IUPAC3-(1-ethylsulfonylpropan-2-ylamino)propan-1-ol
SMILESCCS(=O)(=O)CC(C)NCCCO
InChIInChI=1S/C8H19NO3S/c1-3-13(11,12)7-8(2)9-5-4-6-10/h8-10H,3-7H2,1-2H3
InChIKeyAKESWRVGRQZJNA-UHFFFAOYSA-N
MW209.31 g/mol
LogP-0.22
Rot. Bonds7

About 3-(1-ethylsulfonylpropan-2-ylamino)propan-1-ol

3-(1-ethylsulfonylpropan-2-ylamino)propan-1-ol (PubChem CID 115900563) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-(1-ethylsulfonylpropan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-(1-ethylsulfonylpropan-2-ylamino)propan-1-ol
PubChem CID115900563
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC Name3-(1-ethylsulfonylpropan-2-ylamino)propan-1-ol
SMILESCCS(=O)(=O)CC(C)NCCCO
InChIInChI=1S/C8H19NO3S/c1-3-13(11,12)7-8(2)9-5-4-6-10/h8-10H,3-7H2,1-2H3
InChIKeyAKESWRVGRQZJNA-UHFFFAOYSA-N
XLogP-0.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
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 3-(1-ethylsulfonylpropan-2-ylamino)propan-1-ol?
The IUPAC name of 3-(1-ethylsulfonylpropan-2-ylamino)propan-1-ol (CID 115900563) is 3-(1-ethylsulfonylpropan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-(1-ethylsulfonylpropan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-(1-ethylsulfonylpropan-2-ylamino)propan-1-ol is CCS(=O)(=O)CC(C)NCCCO.
What is the InChIKey of 3-(1-ethylsulfonylpropan-2-ylamino)propan-1-ol?
The InChIKey is AKESWRVGRQZJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-3-13(11,12)7-8(2)9-5-4-6-10/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-(1-ethylsulfonylpropan-2-ylamino)propan-1-ol?
3-(1-ethylsulfonylpropan-2-ylamino)propan-1-ol has a molecular weight of 209.31 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 3-(1-ethylsulfonylpropan-2-ylamino)propan-1-ol is sourced from PubChem (CID 115900563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).