1-cyclobutyl-5-methylsulfonylpentan-2-amine

C10H21NO2S — CID 103168350

IUPAC1-cyclobutyl-5-methylsulfonylpentan-2-amine
SMILESCS(=O)(=O)CCCC(N)CC1CCC1
InChIInChI=1S/C10H21NO2S/c1-14(12,13)7-3-6-10(11)8-9-4-2-5-9/h9-10H,2-8,11H2,1H3
InChIKeyNBQQZSBOPSYDBZ-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.33
Rot. Bonds6

About 1-cyclobutyl-5-methylsulfonylpentan-2-amine

1-cyclobutyl-5-methylsulfonylpentan-2-amine (PubChem CID 103168350) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 1-cyclobutyl-5-methylsulfonylpentan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-5-methylsulfonylpentan-2-amine
PubChem CID103168350
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name1-cyclobutyl-5-methylsulfonylpentan-2-amine
SMILESCS(=O)(=O)CCCC(N)CC1CCC1
InChIInChI=1S/C10H21NO2S/c1-14(12,13)7-3-6-10(11)8-9-4-2-5-9/h9-10H,2-8,11H2,1H3
InChIKeyNBQQZSBOPSYDBZ-UHFFFAOYSA-N
XLogP1.33
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-5-methylsulfonylpentan-2-amine
CID 115820782
1-cyclobutyl-N-ethyl-5-methylsulfonylpentan-2-amine
CID 103168351
1-cycloheptyl-N-methyl-5-methylsulfonylpentan-2-amine
CID 115820359
1-cyclopentyldecan-2-amine
CID 115835607
1-cyclobutyl-N-(3-methylsulfonylpropyl)propan-2-amine
CID 115716722
1-cyclopropyl-5-methylsulfonylpentan-1-amine
CID 63355317
1-cycloheptylheptan-2-amine
CID 115837607
1-cyclohexyl-5-methylsulfonylpentan-3-amine
CID 115848165
1-(3-ethylcyclohexyl)-3-methylsulfonylpropan-1-amine
CID 65415549
5-ethylsulfonyl-1-(oxolan-3-yl)pentan-2-amine
CID 103986638
4-cyclobutyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346236
4-amino-5-cyclohexylpentan-1-ol
CID 82406010

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-5-methylsulfonylpentan-2-amine?
The IUPAC name of 1-cyclobutyl-5-methylsulfonylpentan-2-amine (CID 103168350) is 1-cyclobutyl-5-methylsulfonylpentan-2-amine.
What is the SMILES notation for 1-cyclobutyl-5-methylsulfonylpentan-2-amine?
The canonical SMILES for 1-cyclobutyl-5-methylsulfonylpentan-2-amine is CS(=O)(=O)CCCC(N)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-5-methylsulfonylpentan-2-amine?
The InChIKey is NBQQZSBOPSYDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-14(12,13)7-3-6-10(11)8-9-4-2-5-9/h9-10H,2-8,11H2,1H3.
What are the key properties of 1-cyclobutyl-5-methylsulfonylpentan-2-amine?
1-cyclobutyl-5-methylsulfonylpentan-2-amine has a molecular weight of 219.35 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-5-methylsulfonylpentan-2-amine is sourced from PubChem (CID 103168350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).