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

C11H25N3O3S — CID 102701574

IUPACN-(2-methoxypropyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)NCC(C)OC)C1
InChIInChI=1S/C11H25N3O3S/c1-10(17-3)7-13-18(15,16)14-6-4-5-11(9-14)8-12-2/h10-13H,4-9H2,1-3H3
InChIKeyBZOMIUCOQDDFGY-UHFFFAOYSA-N
MW279.41 g/mol
LogP-0.21
Rot. Bonds7

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

N-(2-methoxypropyl)-3-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 102701574) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-(2-methoxypropyl)-3-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxypropyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID102701574
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC NameN-(2-methoxypropyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)NCC(C)OC)C1
InChIInChI=1S/C11H25N3O3S/c1-10(17-3)7-13-18(15,16)14-6-4-5-11(9-14)8-12-2/h10-13H,4-9H2,1-3H3
InChIKeyBZOMIUCOQDDFGY-UHFFFAOYSA-N
XLogP-0.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methylaminomethyl)-N-[(4-methylcyclohexyl)methyl]piperidine-1-sulfonamide
CID 106062375
1-[1-(1-methoxypropan-2-ylsulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 119961006
N-(2-cyclopentyloxyethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106064564
N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106091913
3-(methylaminomethyl)-N-(oxan-3-ylmethyl)piperidine-1-sulfonamide
CID 106016509
N-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide
CID 114816829
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
N-[1-(diethylamino)propan-2-yl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106052235
1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine
CID 115752117
3-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide
CID 106093726
N-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106023332
3-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)piperidine-1-sulfonamide
CID 106017835

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-3-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(2-methoxypropyl)-3-(methylaminomethyl)piperidine-1-sulfonamide (CID 102701574) is N-(2-methoxypropyl)-3-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(2-methoxypropyl)-3-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(2-methoxypropyl)-3-(methylaminomethyl)piperidine-1-sulfonamide is CNCC1CCCN(S(=O)(=O)NCC(C)OC)C1.
What is the InChIKey of N-(2-methoxypropyl)-3-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is BZOMIUCOQDDFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-10(17-3)7-13-18(15,16)14-6-4-5-11(9-14)8-12-2/h10-13H,4-9H2,1-3H3.
What are the key properties of N-(2-methoxypropyl)-3-(methylaminomethyl)piperidine-1-sulfonamide?
N-(2-methoxypropyl)-3-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 279.41 g/mol, XLogP of -0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-3-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 102701574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).