2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentan-1-amine

C12H25NO2S — CID 107759128

IUPAC2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentan-1-amine
SMILESCC(C)C(C)S(=O)(=O)CCC1CCCC1N
InChIInChI=1S/C12H25NO2S/c1-9(2)10(3)16(14,15)8-7-11-5-4-6-12(11)13/h9-12H,4-8,13H2,1-3H3
InChIKeyYPFFBBNOJIZVRZ-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.96
Rot. Bonds5

About 2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentan-1-amine

2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentan-1-amine (PubChem CID 107759128) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentan-1-amine
PubChem CID107759128
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentan-1-amine
SMILESCC(C)C(C)S(=O)(=O)CCC1CCCC1N
InChIInChI=1S/C12H25NO2S/c1-9(2)10(3)16(14,15)8-7-11-5-4-6-12(11)13/h9-12H,4-8,13H2,1-3H3
InChIKeyYPFFBBNOJIZVRZ-UHFFFAOYSA-N
XLogP1.96
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-N-propylcyclopentan-1-amine
CID 107759130
2-(2-butylsulfonylethyl)cyclopentan-1-amine
CID 79581425
2-(2-cyclohexylsulfonylethyl)cyclopentan-1-amine
CID 79581966
2-(3-methylsulfonylpropyl)cyclohexan-1-amine
CID 63191344
2-(4-methylpentyl)cyclopentan-1-amine
CID 83158809
N-methyl-1-[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methanamine
CID 106735482
2-[2-[ethyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine
CID 79569791
1-chloro-2-(2-propan-2-ylsulfonylethyl)cyclohexane
CID 106729081
N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentanamine
CID 107757330
2-(2-propylsulfonylethyl)cyclobutan-1-amine
CID 106735337
2-[2-(2-methylphenyl)sulfonylethyl]cyclopentan-1-amine
CID 79581498
2-(2-propan-2-ylsulfonylethyl)cycloheptan-1-ol
CID 106729005

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentan-1-amine?
The IUPAC name of 2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentan-1-amine (CID 107759128) is 2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentan-1-amine is CC(C)C(C)S(=O)(=O)CCC1CCCC1N.
What is the InChIKey of 2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentan-1-amine?
The InChIKey is YPFFBBNOJIZVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-9(2)10(3)16(14,15)8-7-11-5-4-6-12(11)13/h9-12H,4-8,13H2,1-3H3.
What are the key properties of 2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentan-1-amine?
2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 107759128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).