1-(ethylamino)-N-(2-pyrrolidin-1-ylpropyl)propane-2-sulfonamide

C12H27N3O2S — CID 106073122

IUPAC1-(ethylamino)-N-(2-pyrrolidin-1-ylpropyl)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)NCC(C)N1CCCC1
InChIInChI=1S/C12H27N3O2S/c1-4-13-10-12(3)18(16,17)14-9-11(2)15-7-5-6-8-15/h11-14H,4-10H2,1-3H3
InChIKeyIYWVGLMMUZFKJI-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.39
Rot. Bonds8

About 1-(ethylamino)-N-(2-pyrrolidin-1-ylpropyl)propane-2-sulfonamide

1-(ethylamino)-N-(2-pyrrolidin-1-ylpropyl)propane-2-sulfonamide (PubChem CID 106073122) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-(ethylamino)-N-(2-pyrrolidin-1-ylpropyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(ethylamino)-N-(2-pyrrolidin-1-ylpropyl)propane-2-sulfonamide
PubChem CID106073122
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name1-(ethylamino)-N-(2-pyrrolidin-1-ylpropyl)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)NCC(C)N1CCCC1
InChIInChI=1S/C12H27N3O2S/c1-4-13-10-12(3)18(16,17)14-9-11(2)15-7-5-6-8-15/h11-14H,4-10H2,1-3H3
InChIKeyIYWVGLMMUZFKJI-UHFFFAOYSA-N
XLogP0.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)propyl]-1-(ethylamino)propane-2-sulfonamide
CID 106017341
1-[1-(sulfamoylamino)propan-2-yl]piperidine
CID 112686143
1-chloro-N-(2-piperidin-1-ylpropyl)methanesulfonamide
CID 63663943
1-(ethylamino)-N-[(1-methylcyclohexyl)methyl]propane-2-sulfonamide
CID 114095179
N-(1-ethylsulfonylpropan-2-yl)-2-piperidin-1-ylpropan-1-amine
CID 113350724
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(ethylamino)propane-2-sulfonamide
CID 106004615
N-(3,3-dimethylbutyl)-1-(ethylamino)propane-2-sulfonamide
CID 106085654
1-cyano-N-(2-piperidin-1-ylpropyl)methanesulfonamide
CID 55207029
N-ethyl-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43207839
2-(2-pyrrolidin-1-ylpropylamino)ethanesulfonamide
CID 114385119
3-(ethylamino)-N-(2-piperidin-1-ylpropyl)propanamide
CID 62836646
1-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]propane-2-sulfonamide
CID 106055954

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-N-(2-pyrrolidin-1-ylpropyl)propane-2-sulfonamide?
The IUPAC name of 1-(ethylamino)-N-(2-pyrrolidin-1-ylpropyl)propane-2-sulfonamide (CID 106073122) is 1-(ethylamino)-N-(2-pyrrolidin-1-ylpropyl)propane-2-sulfonamide.
What is the SMILES notation for 1-(ethylamino)-N-(2-pyrrolidin-1-ylpropyl)propane-2-sulfonamide?
The canonical SMILES for 1-(ethylamino)-N-(2-pyrrolidin-1-ylpropyl)propane-2-sulfonamide is CCNCC(C)S(=O)(=O)NCC(C)N1CCCC1.
What is the InChIKey of 1-(ethylamino)-N-(2-pyrrolidin-1-ylpropyl)propane-2-sulfonamide?
The InChIKey is IYWVGLMMUZFKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-4-13-10-12(3)18(16,17)14-9-11(2)15-7-5-6-8-15/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-(ethylamino)-N-(2-pyrrolidin-1-ylpropyl)propane-2-sulfonamide?
1-(ethylamino)-N-(2-pyrrolidin-1-ylpropyl)propane-2-sulfonamide has a molecular weight of 277.43 g/mol, XLogP of 0.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-N-(2-pyrrolidin-1-ylpropyl)propane-2-sulfonamide is sourced from PubChem (CID 106073122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).