N-propan-2-yl-3-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpropan-1-amine

C14H30N2O3S — CID 102744605

IUPACN-propan-2-yl-3-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpropan-1-amine
SMILESCC(C)NCCCS(=O)(=O)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C14H30N2O3S/c1-12(2)15-8-7-9-20(17,18)16-10-13(3,4)19-14(5,6)11-16/h12,15H,7-11H2,1-6H3
InChIKeyHDYIOYLPUFAUFC-UHFFFAOYSA-N
MW306.47 g/mol
LogP1.59
Rot. Bonds6

About N-propan-2-yl-3-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpropan-1-amine

N-propan-2-yl-3-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpropan-1-amine (PubChem CID 102744605) has the molecular formula C14H30N2O3S and a molecular weight of 306.47 g/mol. Its IUPAC name is N-propan-2-yl-3-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpropan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpropan-1-amine
PubChem CID102744605
Molecular FormulaC14H30N2O3S
Molecular Weight306.47 g/mol
Exact Mass306.20
IUPAC NameN-propan-2-yl-3-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpropan-1-amine
SMILESCC(C)NCCCS(=O)(=O)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C14H30N2O3S/c1-12(2)15-8-7-9-20(17,18)16-10-13(3,4)19-14(5,6)11-16/h12,15H,7-11H2,1-6H3
InChIKeyHDYIOYLPUFAUFC-UHFFFAOYSA-N
XLogP1.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylethyl]propan-1-amine
CID 102746509
3-(4-ethylpiperazin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine
CID 54973906
4-(propan-2-ylamino)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one
CID 102743692
1-methyl-4-[3-(propan-2-ylamino)propylsulfonyl]piperazin-2-one
CID 64693876
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]sulfonyl-N-propan-2-ylpropan-1-amine
CID 62889194
3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine
CID 63539561
3,3-dimethyl-4-[3-(propan-2-ylamino)propylsulfonyl]piperazin-2-one
CID 63607109
N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 107164561
N-[3-(propan-2-ylamino)propyl]morpholine-4-sulfonamide
CID 43606820
4-(3-hydroxy-3-methylazetidin-1-yl)sulfonylbutanenitrile
CID 99802834
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]-N-propan-2-ylbutan-1-amine
CID 102729039
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106088421

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpropan-1-amine?
The IUPAC name of N-propan-2-yl-3-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpropan-1-amine (CID 102744605) is N-propan-2-yl-3-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpropan-1-amine.
What is the SMILES notation for N-propan-2-yl-3-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpropan-1-amine?
The canonical SMILES for N-propan-2-yl-3-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpropan-1-amine is CC(C)NCCCS(=O)(=O)N1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of N-propan-2-yl-3-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpropan-1-amine?
The InChIKey is HDYIOYLPUFAUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3S/c1-12(2)15-8-7-9-20(17,18)16-10-13(3,4)19-14(5,6)11-16/h12,15H,7-11H2,1-6H3.
What are the key properties of N-propan-2-yl-3-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpropan-1-amine?
N-propan-2-yl-3-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpropan-1-amine has a molecular weight of 306.47 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpropan-1-amine is sourced from PubChem (CID 102744605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).