1-[(2-methylsulfonylethylamino)methyl]cyclopentan-1-ol

C9H19NO3S — CID 65108834

IUPAC1-[(2-methylsulfonylethylamino)methyl]cyclopentan-1-ol
SMILESCS(=O)(=O)CCNCC1(O)CCCC1
InChIInChI=1S/C9H19NO3S/c1-14(12,13)7-6-10-8-9(11)4-2-3-5-9/h10-11H,2-8H2,1H3
InChIKeyRYASHRBAYZYVOQ-UHFFFAOYSA-N
MW221.32 g/mol
LogP-0.07
Rot. Bonds5

About 1-[(2-methylsulfonylethylamino)methyl]cyclopentan-1-ol

1-[(2-methylsulfonylethylamino)methyl]cyclopentan-1-ol (PubChem CID 65108834) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-[(2-methylsulfonylethylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(2-methylsulfonylethylamino)methyl]cyclopentan-1-ol
PubChem CID65108834
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name1-[(2-methylsulfonylethylamino)methyl]cyclopentan-1-ol
SMILESCS(=O)(=O)CCNCC1(O)CCCC1
InChIInChI=1S/C9H19NO3S/c1-14(12,13)7-6-10-8-9(11)4-2-3-5-9/h10-11H,2-8H2,1H3
InChIKeyRYASHRBAYZYVOQ-UHFFFAOYSA-N
XLogP-0.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 5-0.07
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-[(2-methylsulfonylethylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(2-methylsulfonylethylamino)methyl]cyclopentan-1-ol (CID 65108834) is 1-[(2-methylsulfonylethylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(2-methylsulfonylethylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(2-methylsulfonylethylamino)methyl]cyclopentan-1-ol is CS(=O)(=O)CCNCC1(O)CCCC1.
What is the InChIKey of 1-[(2-methylsulfonylethylamino)methyl]cyclopentan-1-ol?
The InChIKey is RYASHRBAYZYVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-14(12,13)7-6-10-8-9(11)4-2-3-5-9/h10-11H,2-8H2,1H3.
What are the key properties of 1-[(2-methylsulfonylethylamino)methyl]cyclopentan-1-ol?
1-[(2-methylsulfonylethylamino)methyl]cyclopentan-1-ol has a molecular weight of 221.32 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylsulfonylethylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65108834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).