N,2-dimethyl-3-methylsulfonylcyclopentan-1-amine

C8H17NO2S — CID 64904895

IUPACN,2-dimethyl-3-methylsulfonylcyclopentan-1-amine
SMILESCNC1CCC(S(C)(=O)=O)C1C
InChIInChI=1S/C8H17NO2S/c1-6-7(9-2)4-5-8(6)12(3,10)11/h6-9H,4-5H2,1-3H3
InChIKeyMYHWUDZDSOJDEO-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.42
Rot. Bonds2

About N,2-dimethyl-3-methylsulfonylcyclopentan-1-amine

N,2-dimethyl-3-methylsulfonylcyclopentan-1-amine (PubChem CID 64904895) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N,2-dimethyl-3-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-3-methylsulfonylcyclopentan-1-amine
PubChem CID64904895
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN,2-dimethyl-3-methylsulfonylcyclopentan-1-amine
SMILESCNC1CCC(S(C)(=O)=O)C1C
InChIInChI=1S/C8H17NO2S/c1-6-7(9-2)4-5-8(6)12(3,10)11/h6-9H,4-5H2,1-3H3
InChIKeyMYHWUDZDSOJDEO-UHFFFAOYSA-N
XLogP0.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N,2-dimethyl-3-methylsulfonylcyclopentan-1-amine (CID 64904895) is N,2-dimethyl-3-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N,2-dimethyl-3-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N,2-dimethyl-3-methylsulfonylcyclopentan-1-amine is CNC1CCC(S(C)(=O)=O)C1C.
What is the InChIKey of N,2-dimethyl-3-methylsulfonylcyclopentan-1-amine?
The InChIKey is MYHWUDZDSOJDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-6-7(9-2)4-5-8(6)12(3,10)11/h6-9H,4-5H2,1-3H3.
What are the key properties of N,2-dimethyl-3-methylsulfonylcyclopentan-1-amine?
N,2-dimethyl-3-methylsulfonylcyclopentan-1-amine has a molecular weight of 191.30 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 64904895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).