N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(hydroxymethyl)piperidine-1-sulfonamide

C13H29N3O3S — CID 103192209

IUPACN-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(hydroxymethyl)piperidine-1-sulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)N1CCC(CO)CC1
InChIInChI=1S/C13H29N3O3S/c1-5-16(12(2)10-14(3)4)20(18,19)15-8-6-13(11-17)7-9-15/h12-13,17H,5-11H2,1-4H3
InChIKeyGOHGHLXTMUAEOZ-UHFFFAOYSA-N
MW307.46 g/mol
LogP0.21
Rot. Bonds7

About N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(hydroxymethyl)piperidine-1-sulfonamide

N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(hydroxymethyl)piperidine-1-sulfonamide (PubChem CID 103192209) has the molecular formula C13H29N3O3S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(hydroxymethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(hydroxymethyl)piperidine-1-sulfonamide
PubChem CID103192209
Molecular FormulaC13H29N3O3S
Molecular Weight307.46 g/mol
Exact Mass307.19
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(hydroxymethyl)piperidine-1-sulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)N1CCC(CO)CC1
InChIInChI=1S/C13H29N3O3S/c1-5-16(12(2)10-14(3)4)20(18,19)15-8-6-13(11-17)7-9-15/h12-13,17H,5-11H2,1-4H3
InChIKeyGOHGHLXTMUAEOZ-UHFFFAOYSA-N
XLogP0.21
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 103192345
[1-(3-methylbutylsulfonyl)piperidin-4-yl]methanol
CID 63856417
N-butan-2-yl-N-ethylpiperazine-1-sulfonamide
CID 43274716
4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-1-sulfonamide
CID 79488387
N-ethyl-N-(1-methoxypropan-2-yl)piperazine-1-sulfonamide
CID 61251786
4-(chloromethyl)-N-ethyl-N-(2-methylbutyl)piperidine-1-sulfonamide
CID 79469875
[1-[1-(dimethylamino)-3-methylbutan-2-yl]pyrrolidin-3-yl]methanol
CID 64867752
N-(cyclopropylmethyl)-N-propan-2-ylpiperazine-1-sulfonamide
CID 54999539
4-(aminomethyl)-N-ethyl-N-methylpiperidine-1-sulfonamide;hydrochloride
CID 119963738
[1-(chloromethylsulfonyl)piperidin-4-yl]methanol
CID 63664501
[1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidin-4-yl]methanol
CID 54878650
3-[[1-(dimethylamino)propan-2-yl-ethylsulfamoyl]-methylamino]propan-1-ol
CID 103192205

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(hydroxymethyl)piperidine-1-sulfonamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(hydroxymethyl)piperidine-1-sulfonamide (CID 103192209) is N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(hydroxymethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(hydroxymethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(hydroxymethyl)piperidine-1-sulfonamide is CCN(C(C)CN(C)C)S(=O)(=O)N1CCC(CO)CC1.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(hydroxymethyl)piperidine-1-sulfonamide?
The InChIKey is GOHGHLXTMUAEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O3S/c1-5-16(12(2)10-14(3)4)20(18,19)15-8-6-13(11-17)7-9-15/h12-13,17H,5-11H2,1-4H3.
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(hydroxymethyl)piperidine-1-sulfonamide?
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(hydroxymethyl)piperidine-1-sulfonamide has a molecular weight of 307.46 g/mol, XLogP of 0.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(hydroxymethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 103192209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).