2-[(1-methylsulfonylazetidin-3-yl)amino]ethanol

C6H14N2O3S — CID 18343024

IUPAC2-[(1-methylsulfonylazetidin-3-yl)amino]ethanol
SMILESCS(=O)(=O)N1CC(NCCO)C1
InChIInChI=1S/C6H14N2O3S/c1-12(10,11)8-4-6(5-8)7-2-3-9/h6-7,9H,2-5H2,1H3
InChIKeyXXBOIHSNHMPNNT-UHFFFAOYSA-N
MW194.26 g/mol
LogP-1.79
Rot. Bonds4

About 2-[(1-methylsulfonylazetidin-3-yl)amino]ethanol

2-[(1-methylsulfonylazetidin-3-yl)amino]ethanol (PubChem CID 18343024) has the molecular formula C6H14N2O3S and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-[(1-methylsulfonylazetidin-3-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(1-methylsulfonylazetidin-3-yl)amino]ethanol
PubChem CID18343024
Molecular FormulaC6H14N2O3S
Molecular Weight194.26 g/mol
Exact Mass194.07
IUPAC Name2-[(1-methylsulfonylazetidin-3-yl)amino]ethanol
SMILESCS(=O)(=O)N1CC(NCCO)C1
InChIInChI=1S/C6H14N2O3S/c1-12(10,11)8-4-6(5-8)7-2-3-9/h6-7,9H,2-5H2,1H3
InChIKeyXXBOIHSNHMPNNT-UHFFFAOYSA-N
XLogP-1.79
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-ethylazetidin-3-yl)amino]ethanol
CID 126997572
1-methylsulfonyl-N-propan-2-ylazetidin-3-amine
CID 130416289
2-methyl-N-(1-methylsulfonylazetidin-3-yl)propanamide
CID 70852288
N-[2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]acetamide
CID 102673469
2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)amino]ethanol
CID 177148578
N-(4-methylpentyl)-1-methylsulfonylpiperidin-4-amine
CID 81302082
N-(3-methylbut-3-enyl)-1-methylsulfonylpiperidin-4-amine
CID 114472064
N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]cyclopropanamine
CID 79612688
5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanamide
CID 114239295
N-ethyl-1-methylsulfonylazepan-3-amine
CID 121359011
N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 65093523
4-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol
CID 113262654

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylsulfonylazetidin-3-yl)amino]ethanol?
The IUPAC name of 2-[(1-methylsulfonylazetidin-3-yl)amino]ethanol (CID 18343024) is 2-[(1-methylsulfonylazetidin-3-yl)amino]ethanol.
What is the SMILES notation for 2-[(1-methylsulfonylazetidin-3-yl)amino]ethanol?
The canonical SMILES for 2-[(1-methylsulfonylazetidin-3-yl)amino]ethanol is CS(=O)(=O)N1CC(NCCO)C1.
What is the InChIKey of 2-[(1-methylsulfonylazetidin-3-yl)amino]ethanol?
The InChIKey is XXBOIHSNHMPNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3S/c1-12(10,11)8-4-6(5-8)7-2-3-9/h6-7,9H,2-5H2,1H3.
What are the key properties of 2-[(1-methylsulfonylazetidin-3-yl)amino]ethanol?
2-[(1-methylsulfonylazetidin-3-yl)amino]ethanol has a molecular weight of 194.26 g/mol, XLogP of -1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylsulfonylazetidin-3-yl)amino]ethanol is sourced from PubChem (CID 18343024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).