N-[2-(cyclopropylamino)ethyl]-3,5-dimethylpiperidine-1-sulfonamide

C12H25N3O2S — CID 62665167

IUPACN-[2-(cyclopropylamino)ethyl]-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NCCNC2CC2)C1
InChIInChI=1S/C12H25N3O2S/c1-10-7-11(2)9-15(8-10)18(16,17)14-6-5-13-12-3-4-12/h10-14H,3-9H2,1-2H3
InChIKeyOVFPZKYIZWIIMA-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.55
Rot. Bonds6

About N-[2-(cyclopropylamino)ethyl]-3,5-dimethylpiperidine-1-sulfonamide

N-[2-(cyclopropylamino)ethyl]-3,5-dimethylpiperidine-1-sulfonamide (PubChem CID 62665167) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)ethyl]-3,5-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)ethyl]-3,5-dimethylpiperidine-1-sulfonamide
PubChem CID62665167
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC NameN-[2-(cyclopropylamino)ethyl]-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NCCNC2CC2)C1
InChIInChI=1S/C12H25N3O2S/c1-10-7-11(2)9-15(8-10)18(16,17)14-6-5-13-12-3-4-12/h10-14H,3-9H2,1-2H3
InChIKeyOVFPZKYIZWIIMA-UHFFFAOYSA-N
XLogP0.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-sulfonamide;hydrochloride
CID 119973056
3,5-dimethyl-N-propylpiperidine-1-sulfonamide
CID 43243297
N-(2-aminoethyl)-3,5-dimethylpiperidine-1-sulfonamide
CID 43603509
N-[2-(cycloheptylamino)ethyl]-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 119987333
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
N-(3-cyclopentylpropyl)-3,5-dimethylpiperidine-1-sulfonamide
CID 55571821
4-tert-butyl-N-[2-(cyclopropylamino)ethyl]piperidine-1-sulfonamide
CID 86784586
3,5-dimethyl-N-(4-methylcyclohexyl)piperidine-1-sulfonamide
CID 134062148
(3S,5R)-3,5-dimethyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]piperidine-1-sulfonamide
CID 52530156
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 86928437
(3R,5R)-N-[(3R)-3-hydroxy-3-phenylpropyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 99850353
3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidine-1-sulfonamide
CID 107487775

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)ethyl]-3,5-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-[2-(cyclopropylamino)ethyl]-3,5-dimethylpiperidine-1-sulfonamide (CID 62665167) is N-[2-(cyclopropylamino)ethyl]-3,5-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[2-(cyclopropylamino)ethyl]-3,5-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-[2-(cyclopropylamino)ethyl]-3,5-dimethylpiperidine-1-sulfonamide is CC1CC(C)CN(S(=O)(=O)NCCNC2CC2)C1.
What is the InChIKey of N-[2-(cyclopropylamino)ethyl]-3,5-dimethylpiperidine-1-sulfonamide?
The InChIKey is OVFPZKYIZWIIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-10-7-11(2)9-15(8-10)18(16,17)14-6-5-13-12-3-4-12/h10-14H,3-9H2,1-2H3.
What are the key properties of N-[2-(cyclopropylamino)ethyl]-3,5-dimethylpiperidine-1-sulfonamide?
N-[2-(cyclopropylamino)ethyl]-3,5-dimethylpiperidine-1-sulfonamide has a molecular weight of 275.42 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)ethyl]-3,5-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 62665167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).