1-(1-aminobutan-2-yl)-2-methylsulfonylcyclopentan-1-ol

C10H21NO3S — CID 79123466

IUPAC1-(1-aminobutan-2-yl)-2-methylsulfonylcyclopentan-1-ol
SMILESCCC(CN)C1(O)CCCC1S(C)(=O)=O
InChIInChI=1S/C10H21NO3S/c1-3-8(7-11)10(12)6-4-5-9(10)15(2,13)14/h8-9,12H,3-7,11H2,1-2H3
InChIKeyDNCKQFFQIOPUNM-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.30
Rot. Bonds4

About 1-(1-aminobutan-2-yl)-2-methylsulfonylcyclopentan-1-ol

1-(1-aminobutan-2-yl)-2-methylsulfonylcyclopentan-1-ol (PubChem CID 79123466) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(1-aminobutan-2-yl)-2-methylsulfonylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(1-aminobutan-2-yl)-2-methylsulfonylcyclopentan-1-ol
PubChem CID79123466
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name1-(1-aminobutan-2-yl)-2-methylsulfonylcyclopentan-1-ol
SMILESCCC(CN)C1(O)CCCC1S(C)(=O)=O
InChIInChI=1S/C10H21NO3S/c1-3-8(7-11)10(12)6-4-5-9(10)15(2,13)14/h8-9,12H,3-7,11H2,1-2H3
InChIKeyDNCKQFFQIOPUNM-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-[1-(Aminomethyl)-3-ethylcyclopentyl]-2-methylsulfonylcyclopentan-1-ol
CID 79123465
1-[1-(Aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylsulfonylcyclopentan-1-ol
CID 79123687
1-[1-(Aminomethyl)-4-propylcyclohexyl]-2-methylsulfonylcyclopentan-1-ol
CID 79123688
1-[1-(Aminomethyl)-4-methylcyclohexyl]-2-methylsulfonylcyclopentan-1-ol
CID 79123717
1-[1-(Aminomethyl)-3-methylcyclohexyl]-2-methylsulfonylcyclopentan-1-ol
CID 79123957
1-[1-(Aminomethyl)cyclobutyl]-2-methylsulfonylcyclopentan-1-ol
CID 79124427
1-[1-(Aminomethyl)-4-ethylcyclohexyl]-2-methylsulfonylcyclopentan-1-ol
CID 79124623
1-[1-(Aminomethyl)-3-ethylcyclohexyl]-2-methylsulfonylcyclopentan-1-ol
CID 79124832
1-(1-Aminopropan-2-yl)-2-methylsulfonylcyclopentan-1-ol
CID 79125236
1-[1-(Aminomethyl)cyclopentyl]-2-methylsulfonylcyclopentan-1-ol
CID 79125406
1-[1-(Aminomethyl)-4,4-dimethylcyclohexyl]-2-methylsulfonylcyclopentan-1-ol
CID 79125583
1-(1-Amino-2-methylbutan-2-yl)-2-methylsulfonylcyclopentan-1-ol
CID 79125784

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminobutan-2-yl)-2-methylsulfonylcyclopentan-1-ol?
The IUPAC name of 1-(1-aminobutan-2-yl)-2-methylsulfonylcyclopentan-1-ol (CID 79123466) is 1-(1-aminobutan-2-yl)-2-methylsulfonylcyclopentan-1-ol.
What is the SMILES notation for 1-(1-aminobutan-2-yl)-2-methylsulfonylcyclopentan-1-ol?
The canonical SMILES for 1-(1-aminobutan-2-yl)-2-methylsulfonylcyclopentan-1-ol is CCC(CN)C1(O)CCCC1S(C)(=O)=O.
What is the InChIKey of 1-(1-aminobutan-2-yl)-2-methylsulfonylcyclopentan-1-ol?
The InChIKey is DNCKQFFQIOPUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-3-8(7-11)10(12)6-4-5-9(10)15(2,13)14/h8-9,12H,3-7,11H2,1-2H3.
What are the key properties of 1-(1-aminobutan-2-yl)-2-methylsulfonylcyclopentan-1-ol?
1-(1-aminobutan-2-yl)-2-methylsulfonylcyclopentan-1-ol 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 1-(1-aminobutan-2-yl)-2-methylsulfonylcyclopentan-1-ol is sourced from PubChem (CID 79123466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).