N-(3-ethylsulfonylpropyl)-1-pyrrolidin-1-ylpropan-2-amine

C12H26N2O2S — CID 65093417

IUPACN-(3-ethylsulfonylpropyl)-1-pyrrolidin-1-ylpropan-2-amine
SMILESCCS(=O)(=O)CCCNC(C)CN1CCCC1
InChIInChI=1S/C12H26N2O2S/c1-3-17(15,16)10-6-7-13-12(2)11-14-8-4-5-9-14/h12-13H,3-11H2,1-2H3
InChIKeyIDUFWQQIBDBJGZ-UHFFFAOYSA-N
MW262.42 g/mol
LogP0.89
Rot. Bonds8

About N-(3-ethylsulfonylpropyl)-1-pyrrolidin-1-ylpropan-2-amine

N-(3-ethylsulfonylpropyl)-1-pyrrolidin-1-ylpropan-2-amine (PubChem CID 65093417) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-(3-ethylsulfonylpropyl)-1-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-(3-ethylsulfonylpropyl)-1-pyrrolidin-1-ylpropan-2-amine
PubChem CID65093417
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-(3-ethylsulfonylpropyl)-1-pyrrolidin-1-ylpropan-2-amine
SMILESCCS(=O)(=O)CCCNC(C)CN1CCCC1
InChIInChI=1S/C12H26N2O2S/c1-3-17(15,16)10-6-7-13-12(2)11-14-8-4-5-9-14/h12-13H,3-11H2,1-2H3
InChIKeyIDUFWQQIBDBJGZ-UHFFFAOYSA-N
XLogP0.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 50.89
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-(1-piperidin-1-ylpropan-2-yl)hexan-1-amine
CID 43749038
N',N'-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1,3-diamine
CID 114525110
5-(1-pyrrolidin-1-ylpropan-2-ylamino)pentan-1-ol
CID 62228276
1-morpholin-4-yl-N-(3-pyrrolidin-1-ylpropyl)propan-2-amine
CID 54965105
3-(ethylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1-sulfonamide
CID 106050931
N-(3-methylsulfanylpropyl)-1-piperidin-1-ylpropan-2-amine
CID 43434982
5-(1-piperidin-1-ylpropan-2-ylamino)pentanamide
CID 114281596
N-(2-fluoroethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 80693865
N-(3-ethylsulfonylpropyl)pentan-2-amine
CID 65093932
3-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)propane-1-sulfonamide
CID 106009226
N-[3-(azepan-1-yl)propyl]butan-2-amine
CID 115707284
3-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine
CID 43434983

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfonylpropyl)-1-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of N-(3-ethylsulfonylpropyl)-1-pyrrolidin-1-ylpropan-2-amine (CID 65093417) is N-(3-ethylsulfonylpropyl)-1-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for N-(3-ethylsulfonylpropyl)-1-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for N-(3-ethylsulfonylpropyl)-1-pyrrolidin-1-ylpropan-2-amine is CCS(=O)(=O)CCCNC(C)CN1CCCC1.
What is the InChIKey of N-(3-ethylsulfonylpropyl)-1-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is IDUFWQQIBDBJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-3-17(15,16)10-6-7-13-12(2)11-14-8-4-5-9-14/h12-13H,3-11H2,1-2H3.
What are the key properties of N-(3-ethylsulfonylpropyl)-1-pyrrolidin-1-ylpropan-2-amine?
N-(3-ethylsulfonylpropyl)-1-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 262.42 g/mol, XLogP of 0.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfonylpropyl)-1-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 65093417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).