N-methyl-N-(oxolan-3-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide

C14H29N3O3S — CID 82748702

IUPACN-methyl-N-(oxolan-3-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide
SMILESCCCNCC1CCCN(S(=O)(=O)N(C)C2CCOC2)C1
InChIInChI=1S/C14H29N3O3S/c1-3-7-15-10-13-5-4-8-17(11-13)21(18,19)16(2)14-6-9-20-12-14/h13-15H,3-12H2,1-2H3
InChIKeyKIWVRSJBIQZYSP-UHFFFAOYSA-N
MW319.47 g/mol
LogP0.66
Rot. Bonds7

About N-methyl-N-(oxolan-3-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide

N-methyl-N-(oxolan-3-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide (PubChem CID 82748702) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is N-methyl-N-(oxolan-3-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(oxolan-3-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide
PubChem CID82748702
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC NameN-methyl-N-(oxolan-3-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide
SMILESCCCNCC1CCCN(S(=O)(=O)N(C)C2CCOC2)C1
InChIInChI=1S/C14H29N3O3S/c1-3-7-15-10-13-5-4-8-17(11-13)21(18,19)16(2)14-6-9-20-12-14/h13-15H,3-12H2,1-2H3
InChIKeyKIWVRSJBIQZYSP-UHFFFAOYSA-N
XLogP0.66
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
N-[1-(dimethylamino)propan-2-yl]-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 106074497
N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-1-amine
CID 63879807
N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 63880149
N-(2-methylbutan-2-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 106031594
2-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide
CID 82745398
N'-methyl-N'-[methyl(oxolan-3-yl)sulfamoyl]-N-propylpropane-1,3-diamine
CID 82745275
2-[1-[cyclohexyl(methyl)sulfamoyl]piperidin-3-yl]acetic acid
CID 62690776
N-(2-methylsulfanylethyl)-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 106063829
N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63879976
N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]propan-1-amine
CID 63878413
N-(1-cyclobutylethyl)-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 106084943

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-3-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-methyl-N-(oxolan-3-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide (CID 82748702) is N-methyl-N-(oxolan-3-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-methyl-N-(oxolan-3-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-methyl-N-(oxolan-3-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide is CCCNCC1CCCN(S(=O)(=O)N(C)C2CCOC2)C1.
What is the InChIKey of N-methyl-N-(oxolan-3-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is KIWVRSJBIQZYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-3-7-15-10-13-5-4-8-17(11-13)21(18,19)16(2)14-6-9-20-12-14/h13-15H,3-12H2,1-2H3.
What are the key properties of N-methyl-N-(oxolan-3-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide?
N-methyl-N-(oxolan-3-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 319.47 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-3-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 82748702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).