N-(2-methoxypropyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide

C13H29N3O3S — CID 102701704

IUPACN-(2-methoxypropyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
SMILESCOC(C)CNS(=O)(=O)N1CCCCC1CNC(C)C
InChIInChI=1S/C13H29N3O3S/c1-11(2)14-10-13-7-5-6-8-16(13)20(17,18)15-9-12(3)19-4/h11-15H,5-10H2,1-4H3
InChIKeyBIYFGQAZKQCDSO-UHFFFAOYSA-N
MW307.46 g/mol
LogP0.71
Rot. Bonds8

About N-(2-methoxypropyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide

N-(2-methoxypropyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide (PubChem CID 102701704) has the molecular formula C13H29N3O3S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-(2-methoxypropyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxypropyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
PubChem CID102701704
Molecular FormulaC13H29N3O3S
Molecular Weight307.46 g/mol
Exact Mass307.19
IUPAC NameN-(2-methoxypropyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
SMILESCOC(C)CNS(=O)(=O)N1CCCCC1CNC(C)C
InChIInChI=1S/C13H29N3O3S/c1-11(2)14-10-13-7-5-6-8-16(13)20(17,18)15-9-12(3)19-4/h11-15H,5-10H2,1-4H3
InChIKeyBIYFGQAZKQCDSO-UHFFFAOYSA-N
XLogP0.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopentylmethyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106027123
N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106059248
N-piperidin-1-yl-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106075381
N-(4-methylsulfanylbutyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106078191
N-[2-[ethyl(methyl)amino]ethyl]-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106055934
2-[(tert-butylamino)methyl]-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 114816832
2-(methylaminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 106077916
N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide
CID 114816835
N-(3-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 114551856
N-(4-methylsulfanylbutan-2-yl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106080313
N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]methyl]propan-2-amine
CID 79599985
N-[[1-(3-methoxypyrrolidin-1-yl)sulfonylpiperidin-2-yl]methyl]propan-2-amine
CID 103541485

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide?
The IUPAC name of N-(2-methoxypropyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide (CID 102701704) is N-(2-methoxypropyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-(2-methoxypropyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide?
The canonical SMILES for N-(2-methoxypropyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide is COC(C)CNS(=O)(=O)N1CCCCC1CNC(C)C.
What is the InChIKey of N-(2-methoxypropyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide?
The InChIKey is BIYFGQAZKQCDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O3S/c1-11(2)14-10-13-7-5-6-8-16(13)20(17,18)15-9-12(3)19-4/h11-15H,5-10H2,1-4H3.
What are the key properties of N-(2-methoxypropyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide?
N-(2-methoxypropyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide has a molecular weight of 307.46 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-methoxypropyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 102701704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).