3-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide

C14H29N3O3S — CID 81064046

IUPAC3-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide
SMILESCCOCCN(C)S(=O)(=O)N1CCCC(CNC2CC2)C1
InChIInChI=1S/C14H29N3O3S/c1-3-20-10-9-16(2)21(18,19)17-8-4-5-13(12-17)11-15-14-6-7-14/h13-15H,3-12H2,1-2H3
InChIKeyIDRDHTBUHHZUDP-UHFFFAOYSA-N
MW319.47 g/mol
LogP0.66
Rot. Bonds9

About 3-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide

3-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide (PubChem CID 81064046) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide
PubChem CID81064046
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC Name3-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide
SMILESCCOCCN(C)S(=O)(=O)N1CCCC(CNC2CC2)C1
InChIInChI=1S/C14H29N3O3S/c1-3-20-10-9-16(2)21(18,19)17-8-4-5-13(12-17)11-15-14-6-7-14/h13-15H,3-12H2,1-2H3
InChIKeyIDRDHTBUHHZUDP-UHFFFAOYSA-N
XLogP0.66
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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

3-(chloromethyl)-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide
CID 81063896
2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide
CID 81063874
N-[[1-(azepan-1-ylsulfonyl)piperidin-3-yl]methyl]cyclopropanamine
CID 63880154
N-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 55258778
N-(cyclopropylmethyl)-N-methyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
CID 119960920
3-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 106054051
3-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)piperidine-1-sulfonamide
CID 106091198
1-(2-ethoxyethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 63246538
propan-2-yl N-[3-[(cyclopropylamino)methyl]piperidin-1-yl]sulfonylcarbamate
CID 114467189
N-[[1-(3-ethoxypropyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62511911
N-(cyclopentylmethyl)-1-ethylsulfonylpiperidin-4-amine
CID 62069812
2-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813727

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide?
The IUPAC name of 3-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide (CID 81064046) is 3-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide is CCOCCN(C)S(=O)(=O)N1CCCC(CNC2CC2)C1.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide?
The InChIKey is IDRDHTBUHHZUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-3-20-10-9-16(2)21(18,19)17-8-4-5-13(12-17)11-15-14-6-7-14/h13-15H,3-12H2,1-2H3.
What are the key properties of 3-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide?
3-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide has a molecular weight of 319.47 g/mol, XLogP of 0.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 81064046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).