2-[1-(1-aminoethyl)-2-methylsulfonylcyclopentyl]ethanol

C10H21NO3S — CID 66092167

IUPAC2-[1-(1-aminoethyl)-2-methylsulfonylcyclopentyl]ethanol
SMILESCC(N)C1(CCO)CCCC1S(C)(=O)=O
InChIInChI=1S/C10H21NO3S/c1-8(11)10(6-7-12)5-3-4-9(10)15(2,13)14/h8-9,12H,3-7,11H2,1-2H3
InChIKeyNTKQWDOPQNFOFT-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.30
Rot. Bonds4

About 2-[1-(1-aminoethyl)-2-methylsulfonylcyclopentyl]ethanol

2-[1-(1-aminoethyl)-2-methylsulfonylcyclopentyl]ethanol (PubChem CID 66092167) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-[1-(1-aminoethyl)-2-methylsulfonylcyclopentyl]ethanol.

Molecular Properties

Compound Name2-[1-(1-aminoethyl)-2-methylsulfonylcyclopentyl]ethanol
PubChem CID66092167
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2-[1-(1-aminoethyl)-2-methylsulfonylcyclopentyl]ethanol
SMILESCC(N)C1(CCO)CCCC1S(C)(=O)=O
InChIInChI=1S/C10H21NO3S/c1-8(11)10(6-7-12)5-3-4-9(10)15(2,13)14/h8-9,12H,3-7,11H2,1-2H3
InChIKeyNTKQWDOPQNFOFT-UHFFFAOYSA-N
XLogP0.30
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminoethyl)-2-methylsulfonylcyclopentan-1-ol
CID 79125934
ethyl 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carboxylate
CID 65044720
1-(aminomethyl)-N-methyl-2-methylsulfonyl-N-propan-2-ylcyclopentan-1-amine
CID 65045921
1-(aminomethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65045771
3-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]oxypropan-1-ol
CID 103377338
[2-(aminomethyl)-7-methylsulfonylspiro[2.4]heptan-2-yl]methanol
CID 65050172
1-(1-aminobutan-2-yl)-2-methylsulfonylcyclopentan-1-ol
CID 79123466
1-[(2-methylpropylamino)methyl]-2-methylsulfonylcyclopentan-1-ol
CID 65049897
N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-methylcycloheptanamine
CID 65045669
1-(2-ethylbutyl)-2-methylsulfonylcyclopentan-1-ol
CID 82928391
2-methylsulfonyl-1-(3,3,3-trifluoropropyl)cyclopentan-1-ol
CID 65049715
2-(1-amino-4-propan-2-ylcycloheptyl)ethanol
CID 65240022

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-aminoethyl)-2-methylsulfonylcyclopentyl]ethanol?
The IUPAC name of 2-[1-(1-aminoethyl)-2-methylsulfonylcyclopentyl]ethanol (CID 66092167) is 2-[1-(1-aminoethyl)-2-methylsulfonylcyclopentyl]ethanol.
What is the SMILES notation for 2-[1-(1-aminoethyl)-2-methylsulfonylcyclopentyl]ethanol?
The canonical SMILES for 2-[1-(1-aminoethyl)-2-methylsulfonylcyclopentyl]ethanol is CC(N)C1(CCO)CCCC1S(C)(=O)=O.
What is the InChIKey of 2-[1-(1-aminoethyl)-2-methylsulfonylcyclopentyl]ethanol?
The InChIKey is NTKQWDOPQNFOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-8(11)10(6-7-12)5-3-4-9(10)15(2,13)14/h8-9,12H,3-7,11H2,1-2H3.
What are the key properties of 2-[1-(1-aminoethyl)-2-methylsulfonylcyclopentyl]ethanol?
2-[1-(1-aminoethyl)-2-methylsulfonylcyclopentyl]ethanol has a molecular weight of 235.35 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-aminoethyl)-2-methylsulfonylcyclopentyl]ethanol is sourced from PubChem (CID 66092167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).