(1R)-2-(ethylsulfonylmethyl)cyclohexan-1-amine

C9H19NO2S — CID 90969537

IUPAC(1R)-2-(ethylsulfonylmethyl)cyclohexan-1-amine
SMILESCCS(=O)(=O)CC1CCCC[C@H]1N
InChIInChI=1S/C9H19NO2S/c1-2-13(11,12)7-8-5-3-4-6-9(8)10/h8-9H,2-7,10H2,1H3/t8?,9-/m1/s1
InChIKeySKQKYUOLBWVVAB-YGPZHTELSA-N
MW205.32 g/mol
LogP0.94
Rot. Bonds3

About (1R)-2-(ethylsulfonylmethyl)cyclohexan-1-amine

(1R)-2-(ethylsulfonylmethyl)cyclohexan-1-amine (PubChem CID 90969537) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is (1R)-2-(ethylsulfonylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name(1R)-2-(ethylsulfonylmethyl)cyclohexan-1-amine
PubChem CID90969537
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name(1R)-2-(ethylsulfonylmethyl)cyclohexan-1-amine
SMILESCCS(=O)(=O)CC1CCCC[C@H]1N
InChIInChI=1S/C9H19NO2S/c1-2-13(11,12)7-8-5-3-4-6-9(8)10/h8-9H,2-7,10H2,1H3/t8?,9-/m1/s1
InChIKeySKQKYUOLBWVVAB-YGPZHTELSA-N
XLogP0.94
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-(ethylsulfonylmethyl)cyclohexan-1-amine?
The IUPAC name of (1R)-2-(ethylsulfonylmethyl)cyclohexan-1-amine (CID 90969537) is (1R)-2-(ethylsulfonylmethyl)cyclohexan-1-amine.
What is the SMILES notation for (1R)-2-(ethylsulfonylmethyl)cyclohexan-1-amine?
The canonical SMILES for (1R)-2-(ethylsulfonylmethyl)cyclohexan-1-amine is CCS(=O)(=O)CC1CCCC[C@H]1N.
What is the InChIKey of (1R)-2-(ethylsulfonylmethyl)cyclohexan-1-amine?
The InChIKey is SKQKYUOLBWVVAB-YGPZHTELSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-2-13(11,12)7-8-5-3-4-6-9(8)10/h8-9H,2-7,10H2,1H3/t8?,9-/m1/s1.
What are the key properties of (1R)-2-(ethylsulfonylmethyl)cyclohexan-1-amine?
(1R)-2-(ethylsulfonylmethyl)cyclohexan-1-amine has a molecular weight of 205.32 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(ethylsulfonylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 90969537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).