N-(3-methoxy-2-methylpropyl)-2-methylsulfonylcyclopentan-1-amine

C11H23NO3S — CID 65045799

IUPACN-(3-methoxy-2-methylpropyl)-2-methylsulfonylcyclopentan-1-amine
SMILESCOCC(C)CNC1CCCC1S(C)(=O)=O
InChIInChI=1S/C11H23NO3S/c1-9(8-15-2)7-12-10-5-4-6-11(10)16(3,13)14/h9-12H,4-8H2,1-3H3
InChIKeyWSDAOCUTVAWURO-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.82
Rot. Bonds6

About N-(3-methoxy-2-methylpropyl)-2-methylsulfonylcyclopentan-1-amine

N-(3-methoxy-2-methylpropyl)-2-methylsulfonylcyclopentan-1-amine (PubChem CID 65045799) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(3-methoxy-2-methylpropyl)-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(3-methoxy-2-methylpropyl)-2-methylsulfonylcyclopentan-1-amine
PubChem CID65045799
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC NameN-(3-methoxy-2-methylpropyl)-2-methylsulfonylcyclopentan-1-amine
SMILESCOCC(C)CNC1CCCC1S(C)(=O)=O
InChIInChI=1S/C11H23NO3S/c1-9(8-15-2)7-12-10-5-4-6-11(10)16(3,13)14/h9-12H,4-8H2,1-3H3
InChIKeyWSDAOCUTVAWURO-UHFFFAOYSA-N
XLogP0.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxy-2-methylpropyl)-2-methylcyclopentan-1-amine
CID 65045798
N-(2,2-difluoroethyl)-2-methylsulfonylcyclopentan-1-amine
CID 115405922
N-(cyclopropylmethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046998
N-[3-(2-methoxyethoxy)propyl]-2-methylsulfonylcyclopentan-1-amine
CID 65046821
N-(3-methoxy-2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine
CID 81334166
N-[2-(2,2-difluoroethoxy)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 103082634
N-[4-(2-methoxyethoxy)butyl]-2-methylsulfonylcyclopentan-1-amine
CID 115900911
N-(3-ethenoxypropyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046875
N-[2-(4-fluorophenoxy)propyl]-2-methylsulfonylcyclohexan-1-amine
CID 136520499
N-(3-methylpentan-2-yl)-2-methylsulfonylcyclopentan-1-amine
CID 65046156
4-methyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-3-ol
CID 75515768
N-(1-ethoxypropan-2-yl)-2-methylsulfonylcyclopentan-1-amine
CID 65046268

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2-methylpropyl)-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-(3-methoxy-2-methylpropyl)-2-methylsulfonylcyclopentan-1-amine (CID 65045799) is N-(3-methoxy-2-methylpropyl)-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-(3-methoxy-2-methylpropyl)-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-(3-methoxy-2-methylpropyl)-2-methylsulfonylcyclopentan-1-amine is COCC(C)CNC1CCCC1S(C)(=O)=O.
What is the InChIKey of N-(3-methoxy-2-methylpropyl)-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is WSDAOCUTVAWURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-9(8-15-2)7-12-10-5-4-6-11(10)16(3,13)14/h9-12H,4-8H2,1-3H3.
What are the key properties of N-(3-methoxy-2-methylpropyl)-2-methylsulfonylcyclopentan-1-amine?
N-(3-methoxy-2-methylpropyl)-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 249.38 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-methylpropyl)-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 65045799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).