1-cyclopentyl-N-methyl-4-propan-2-ylsulfonylbutan-1-amine

C13H27NO2S — CID 106727336

IUPAC1-cyclopentyl-N-methyl-4-propan-2-ylsulfonylbutan-1-amine
SMILESCNC(CCCS(=O)(=O)C(C)C)C1CCCC1
InChIInChI=1S/C13H27NO2S/c1-11(2)17(15,16)10-6-9-13(14-3)12-7-4-5-8-12/h11-14H,4-10H2,1-3H3
InChIKeyOWFIVRUMTUCRJZ-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.37
Rot. Bonds7

About 1-cyclopentyl-N-methyl-4-propan-2-ylsulfonylbutan-1-amine

1-cyclopentyl-N-methyl-4-propan-2-ylsulfonylbutan-1-amine (PubChem CID 106727336) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is 1-cyclopentyl-N-methyl-4-propan-2-ylsulfonylbutan-1-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-methyl-4-propan-2-ylsulfonylbutan-1-amine
PubChem CID106727336
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name1-cyclopentyl-N-methyl-4-propan-2-ylsulfonylbutan-1-amine
SMILESCNC(CCCS(=O)(=O)C(C)C)C1CCCC1
InChIInChI=1S/C13H27NO2S/c1-11(2)17(15,16)10-6-9-13(14-3)12-7-4-5-8-12/h11-14H,4-10H2,1-3H3
InChIKeyOWFIVRUMTUCRJZ-UHFFFAOYSA-N
XLogP2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butylsulfonyl-1-cyclopropyl-N-methylbutan-1-amine
CID 106727298
4-ethylsulfonyl-N-methyl-1-(oxan-4-yl)butan-1-amine
CID 65334809
1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 115820245
4-ethylsulfonyl-N-methyl-1-(oxan-3-yl)butan-1-amine
CID 65332408
4-cyclobutyl-4-(methylamino)butan-1-ol
CID 116953044
2-cyclopentyl-4-propan-2-ylsulfonylbutan-1-ol
CID 106734435
1-cyclooctyl-4-methoxy-N-methylbutan-1-amine
CID 114856649
1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine
CID 80611662
N-tert-butyl-2-cyclopentyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106730376
3-cyclopentyl-3-(methylamino)propane-1-thiol
CID 116831478
1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine
CID 80610576
N,5-dimethyl-1-(4-methylcyclohexyl)hexan-1-amine
CID 83161350

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-methyl-4-propan-2-ylsulfonylbutan-1-amine?
The IUPAC name of 1-cyclopentyl-N-methyl-4-propan-2-ylsulfonylbutan-1-amine (CID 106727336) is 1-cyclopentyl-N-methyl-4-propan-2-ylsulfonylbutan-1-amine.
What is the SMILES notation for 1-cyclopentyl-N-methyl-4-propan-2-ylsulfonylbutan-1-amine?
The canonical SMILES for 1-cyclopentyl-N-methyl-4-propan-2-ylsulfonylbutan-1-amine is CNC(CCCS(=O)(=O)C(C)C)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-methyl-4-propan-2-ylsulfonylbutan-1-amine?
The InChIKey is OWFIVRUMTUCRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-11(2)17(15,16)10-6-9-13(14-3)12-7-4-5-8-12/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-cyclopentyl-N-methyl-4-propan-2-ylsulfonylbutan-1-amine?
1-cyclopentyl-N-methyl-4-propan-2-ylsulfonylbutan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-methyl-4-propan-2-ylsulfonylbutan-1-amine is sourced from PubChem (CID 106727336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).