N-(2-cyclopentyloxyethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide

C14H29N3O3S — CID 106064564

IUPACN-(2-cyclopentyloxyethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)NCCOC2CCCC2)C1
InChIInChI=1S/C14H29N3O3S/c1-15-11-13-5-4-9-17(12-13)21(18,19)16-8-10-20-14-6-2-3-7-14/h13-16H,2-12H2,1H3
InChIKeyRLCKLOFQJXFIPR-UHFFFAOYSA-N
MW319.47 g/mol
LogP0.71
Rot. Bonds8

About N-(2-cyclopentyloxyethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide

N-(2-cyclopentyloxyethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106064564) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID106064564
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC NameN-(2-cyclopentyloxyethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)NCCOC2CCCC2)C1
InChIInChI=1S/C14H29N3O3S/c1-15-11-13-5-4-9-17(12-13)21(18,19)16-8-10-20-14-6-2-3-7-14/h13-16H,2-12H2,1H3
InChIKeyRLCKLOFQJXFIPR-UHFFFAOYSA-N
XLogP0.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106091913
3-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide
CID 106093726
3-(methylaminomethyl)-N-[(4-methylcyclohexyl)methyl]piperidine-1-sulfonamide
CID 106062375
3-(methylaminomethyl)-N-[2-(oxan-2-yl)ethyl]piperidine-1-sulfonamide
CID 106094390
N-(2-methoxypropyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 102701574
N-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide
CID 114816829
1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine
CID 115752117
3-(methylaminomethyl)-N-(oxan-3-ylmethyl)piperidine-1-sulfonamide
CID 106016509
3-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 106054051
N-(2-imidazol-1-ylethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106018117
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
N-(3-cyclopentyloxypropyl)azepane-1-sulfonamide
CID 131929466

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(2-cyclopentyloxyethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide (CID 106064564) is N-(2-cyclopentyloxyethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide is CNCC1CCCN(S(=O)(=O)NCCOC2CCCC2)C1.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is RLCKLOFQJXFIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-15-11-13-5-4-9-17(12-13)21(18,19)16-8-10-20-14-6-2-3-7-14/h13-16H,2-12H2,1H3.
What are the key properties of N-(2-cyclopentyloxyethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide?
N-(2-cyclopentyloxyethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 319.47 g/mol, XLogP of 0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106064564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).