N-(3-aminopropyl)-N-cyclopentyl-1-(oxolan-2-yl)methanesulfonamide

C13H26N2O3S — CID 63246646

IUPACN-(3-aminopropyl)-N-cyclopentyl-1-(oxolan-2-yl)methanesulfonamide
SMILESNCCCN(C1CCCC1)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C13H26N2O3S/c14-8-4-9-15(12-5-1-2-6-12)19(16,17)11-13-7-3-10-18-13/h12-13H,1-11,14H2
InChIKeyPGMCQCIIPYHSKD-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.09
Rot. Bonds7

About N-(3-aminopropyl)-N-cyclopentyl-1-(oxolan-2-yl)methanesulfonamide

N-(3-aminopropyl)-N-cyclopentyl-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63246646) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclopentyl-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclopentyl-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63246646
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-(3-aminopropyl)-N-cyclopentyl-1-(oxolan-2-yl)methanesulfonamide
SMILESNCCCN(C1CCCC1)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C13H26N2O3S/c14-8-4-9-15(12-5-1-2-6-12)19(16,17)11-13-7-3-10-18-13/h12-13H,1-11,14H2
InChIKeyPGMCQCIIPYHSKD-UHFFFAOYSA-N
XLogP1.09
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-cyclobutyl-1-cyclohexylmethanesulfonamide
CID 102874325
N-(3-aminopropyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide
CID 55173884
N-(3-aminopropyl)-N-cycloheptyl-2-methylsulfonylethanesulfonamide
CID 63244806
N'-cyclohexyl-N'-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine
CID 65158410
N'-cyclopentyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 43591816
1-(oxan-2-yl)-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide
CID 119976345
N-(3-aminopropyl)-N-cyclobutyl-2-(oxan-2-yl)acetamide
CID 102873969
N-(3-aminopropyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83068235
N-(3-aminopropyl)-N-cyclohexyl-3-(oxolan-2-yl)propanamide
CID 65152218
N-cyclopropyl-1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106599566
N'-cycloheptyl-N'-(dimethylsulfamoyl)propane-1,3-diamine
CID 43137026
N-(3-aminopropyl)-N-cyclopentyl-2-methylpropane-2-sulfonamide
CID 63688955

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclopentyl-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclopentyl-1-(oxolan-2-yl)methanesulfonamide (CID 63246646) is N-(3-aminopropyl)-N-cyclopentyl-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclopentyl-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclopentyl-1-(oxolan-2-yl)methanesulfonamide is NCCCN(C1CCCC1)S(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclopentyl-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is PGMCQCIIPYHSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c14-8-4-9-15(12-5-1-2-6-12)19(16,17)11-13-7-3-10-18-13/h12-13H,1-11,14H2.
What are the key properties of N-(3-aminopropyl)-N-cyclopentyl-1-(oxolan-2-yl)methanesulfonamide?
N-(3-aminopropyl)-N-cyclopentyl-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 290.43 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclopentyl-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63246646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).