3-(methylaminomethyl)-N-[2-(oxan-2-yl)ethyl]piperidine-1-sulfonamide

C14H29N3O3S — CID 106094390

IUPAC3-(methylaminomethyl)-N-[2-(oxan-2-yl)ethyl]piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)NCCC2CCCCO2)C1
InChIInChI=1S/C14H29N3O3S/c1-15-11-13-5-4-9-17(12-13)21(18,19)16-8-7-14-6-2-3-10-20-14/h13-16H,2-12H2,1H3
InChIKeyDQWZIRNJDWLMJK-UHFFFAOYSA-N
MW319.47 g/mol
LogP0.71
Rot. Bonds7

About 3-(methylaminomethyl)-N-[2-(oxan-2-yl)ethyl]piperidine-1-sulfonamide

3-(methylaminomethyl)-N-[2-(oxan-2-yl)ethyl]piperidine-1-sulfonamide (PubChem CID 106094390) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is 3-(methylaminomethyl)-N-[2-(oxan-2-yl)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(methylaminomethyl)-N-[2-(oxan-2-yl)ethyl]piperidine-1-sulfonamide
PubChem CID106094390
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC Name3-(methylaminomethyl)-N-[2-(oxan-2-yl)ethyl]piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)NCCC2CCCCO2)C1
InChIInChI=1S/C14H29N3O3S/c1-15-11-13-5-4-9-17(12-13)21(18,19)16-8-7-14-6-2-3-10-20-14/h13-16H,2-12H2,1H3
InChIKeyDQWZIRNJDWLMJK-UHFFFAOYSA-N
XLogP0.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

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Related Compounds

N-(2-cyclopentyloxyethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106064564
3-(methylaminomethyl)-N-(oxan-3-ylmethyl)piperidine-1-sulfonamide
CID 106016509
3-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide
CID 106093726
3-(methylaminomethyl)-N-[(4-methylcyclohexyl)methyl]piperidine-1-sulfonamide
CID 106062375
N-[4-[(2S)-oxolan-2-yl]butyl]pyrrolidine-1-sulfonamide
CID 164633043
1-[3-(methylaminomethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 62048304
N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106091913
1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine
CID 115752117
2-(methylamino)-N-[2-(oxan-2-yl)ethyl]ethanesulfonamide
CID 106000159
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106095283
N-(2-methoxypropyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 102701574
N-(2-imidazol-1-ylethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106018117

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)-N-[2-(oxan-2-yl)ethyl]piperidine-1-sulfonamide?
The IUPAC name of 3-(methylaminomethyl)-N-[2-(oxan-2-yl)ethyl]piperidine-1-sulfonamide (CID 106094390) is 3-(methylaminomethyl)-N-[2-(oxan-2-yl)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for 3-(methylaminomethyl)-N-[2-(oxan-2-yl)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for 3-(methylaminomethyl)-N-[2-(oxan-2-yl)ethyl]piperidine-1-sulfonamide is CNCC1CCCN(S(=O)(=O)NCCC2CCCCO2)C1.
What is the InChIKey of 3-(methylaminomethyl)-N-[2-(oxan-2-yl)ethyl]piperidine-1-sulfonamide?
The InChIKey is DQWZIRNJDWLMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-15-11-13-5-4-9-17(12-13)21(18,19)16-8-7-14-6-2-3-10-20-14/h13-16H,2-12H2,1H3.
What are the key properties of 3-(methylaminomethyl)-N-[2-(oxan-2-yl)ethyl]piperidine-1-sulfonamide?
3-(methylaminomethyl)-N-[2-(oxan-2-yl)ethyl]piperidine-1-sulfonamide has a molecular weight of 319.47 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-N-[2-(oxan-2-yl)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106094390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).