4-cyclopentylsulfonyl-2-methylbutan-2-amine

C10H21NO2S — CID 117036332

IUPAC4-cyclopentylsulfonyl-2-methylbutan-2-amine
SMILESCC(C)(N)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C10H21NO2S/c1-10(2,11)7-8-14(12,13)9-5-3-4-6-9/h9H,3-8,11H2,1-2H3
InChIKeySSKDCVPGKAXTSR-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.47
Rot. Bonds4

About 4-cyclopentylsulfonyl-2-methylbutan-2-amine

4-cyclopentylsulfonyl-2-methylbutan-2-amine (PubChem CID 117036332) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 4-cyclopentylsulfonyl-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-cyclopentylsulfonyl-2-methylbutan-2-amine
PubChem CID117036332
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name4-cyclopentylsulfonyl-2-methylbutan-2-amine
SMILESCC(C)(N)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C10H21NO2S/c1-10(2,11)7-8-14(12,13)9-5-3-4-6-9/h9H,3-8,11H2,1-2H3
InChIKeySSKDCVPGKAXTSR-UHFFFAOYSA-N
XLogP1.47
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,3-dimethylbutylsulfonyl)azepane
CID 115070444
4-cyclopentylsulfonylbutan-2-amine
CID 64674097
1-cyclopentylsulfonyl-2-methylpropan-2-ol
CID 111435418
2-cyclopentylsulfonyl-N-methylethanamine
CID 64673517
2,2-dimethylpropylsulfonylcyclobutane
CID 167544021
tert-butyl 3-cyclohexylsulfonylpropanoate
CID 116662463
N-(2-cyclohexylsulfonylethyl)propan-2-amine
CID 64676192
heptylsulfonylcyclooctane
CID 134525047
7-methylsulfonylheptylsulfonylcyclohexane
CID 166839040
undecylsulfonylcyclohexane
CID 151596280
ethyl 3-cyclopentylsulfonylpropanoate
CID 61236159
3-cyclopentylsulfonylpropanenitrile
CID 64690215

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfonyl-2-methylbutan-2-amine?
The IUPAC name of 4-cyclopentylsulfonyl-2-methylbutan-2-amine (CID 117036332) is 4-cyclopentylsulfonyl-2-methylbutan-2-amine.
What is the SMILES notation for 4-cyclopentylsulfonyl-2-methylbutan-2-amine?
The canonical SMILES for 4-cyclopentylsulfonyl-2-methylbutan-2-amine is CC(C)(N)CCS(=O)(=O)C1CCCC1.
What is the InChIKey of 4-cyclopentylsulfonyl-2-methylbutan-2-amine?
The InChIKey is SSKDCVPGKAXTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-10(2,11)7-8-14(12,13)9-5-3-4-6-9/h9H,3-8,11H2,1-2H3.
What are the key properties of 4-cyclopentylsulfonyl-2-methylbutan-2-amine?
4-cyclopentylsulfonyl-2-methylbutan-2-amine has a molecular weight of 219.35 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfonyl-2-methylbutan-2-amine is sourced from PubChem (CID 117036332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).