3-butan-2-ylsulfonyl-N-ethyl-2-methylcyclopentan-1-amine

C12H25NO2S — CID 64903872

IUPAC3-butan-2-ylsulfonyl-N-ethyl-2-methylcyclopentan-1-amine
SMILESCCNC1CCC(S(=O)(=O)C(C)CC)C1C
InChIInChI=1S/C12H25NO2S/c1-5-9(3)16(14,15)12-8-7-11(10(12)4)13-6-2/h9-13H,5-8H2,1-4H3
InChIKeyJOKBVMYXXUHZMQ-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.98
Rot. Bonds5

About 3-butan-2-ylsulfonyl-N-ethyl-2-methylcyclopentan-1-amine

3-butan-2-ylsulfonyl-N-ethyl-2-methylcyclopentan-1-amine (PubChem CID 64903872) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 3-butan-2-ylsulfonyl-N-ethyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-butan-2-ylsulfonyl-N-ethyl-2-methylcyclopentan-1-amine
PubChem CID64903872
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name3-butan-2-ylsulfonyl-N-ethyl-2-methylcyclopentan-1-amine
SMILESCCNC1CCC(S(=O)(=O)C(C)CC)C1C
InChIInChI=1S/C12H25NO2S/c1-5-9(3)16(14,15)12-8-7-11(10(12)4)13-6-2/h9-13H,5-8H2,1-4H3
InChIKeyJOKBVMYXXUHZMQ-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-3-methylsulfonylcyclopentan-1-amine
CID 64904895
N-ethyl-2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)piperidin-4-amine
CID 79406765
N-ethyl-4-(2-methylbutan-2-yl)-2-propan-2-ylsulfonylcyclohexan-1-amine
CID 64674025
N-ethyl-2-methyl-3-methylsulfanylcyclopentan-1-amine
CID 64904528
2-cyclopentylsulfonyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 64674704
2-methyl-3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclopentan-1-amine
CID 107758146
N-cyclohexylbutane-2-sulfonamide
CID 59716186
3-cyclohexyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64909861
N-ethyl-4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64675834
2,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine
CID 106723838
3-butan-2-ylsulfonyl-N-propylcyclohexan-1-amine
CID 64715675
N-ethyl-2-methyl-3-pentylcyclopentan-1-amine
CID 64907904

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-ylsulfonyl-N-ethyl-2-methylcyclopentan-1-amine?
The IUPAC name of 3-butan-2-ylsulfonyl-N-ethyl-2-methylcyclopentan-1-amine (CID 64903872) is 3-butan-2-ylsulfonyl-N-ethyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-butan-2-ylsulfonyl-N-ethyl-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-butan-2-ylsulfonyl-N-ethyl-2-methylcyclopentan-1-amine is CCNC1CCC(S(=O)(=O)C(C)CC)C1C.
What is the InChIKey of 3-butan-2-ylsulfonyl-N-ethyl-2-methylcyclopentan-1-amine?
The InChIKey is JOKBVMYXXUHZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-5-9(3)16(14,15)12-8-7-11(10(12)4)13-6-2/h9-13H,5-8H2,1-4H3.
What are the key properties of 3-butan-2-ylsulfonyl-N-ethyl-2-methylcyclopentan-1-amine?
3-butan-2-ylsulfonyl-N-ethyl-2-methylcyclopentan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-ylsulfonyl-N-ethyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64903872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).