N-[2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylethyl]propan-1-amine

C12H26N2O2S — CID 113419411

IUPACN-[2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylethyl]propan-1-amine
SMILESCCCNCCS(=O)(=O)N1CCC(C(C)C)C1
InChIInChI=1S/C12H26N2O2S/c1-4-6-13-7-9-17(15,16)14-8-5-12(10-14)11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyQVVLZURCQCWWAC-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.29
Rot. Bonds7

About N-[2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylethyl]propan-1-amine

N-[2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylethyl]propan-1-amine (PubChem CID 113419411) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylethyl]propan-1-amine
PubChem CID113419411
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-[2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylethyl]propan-1-amine
SMILESCCCNCCS(=O)(=O)N1CCC(C(C)C)C1
InChIInChI=1S/C12H26N2O2S/c1-4-6-13-7-9-17(15,16)14-8-5-12(10-14)11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyQVVLZURCQCWWAC-UHFFFAOYSA-N
XLogP1.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-1-amine
CID 114414040
ethene;(3R)-1-methylsulfonyl-3-propan-2-ylpyrrolidine
CID 155736359
N-[1-(1-propylsulfonylpiperidin-4-yl)ethyl]propan-1-amine
CID 63853504
1-(3-methylbutylsulfonyl)-N-propylpiperidin-4-amine
CID 63834582
4-(4-propan-2-ylpiperidin-1-yl)sulfonylbutan-1-amine
CID 103495198
2-[1-[2-(ethylamino)ethylsulfonyl]pyrrolidin-3-yl]ethanol
CID 114798317
N-[2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethyl]propan-1-amine
CID 114414310
N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylethyl]propan-1-amine
CID 102746509
methyl-methylidene-oxo-(4-propan-2-ylpiperidin-1-yl)-λ6-sulfane
CID 146940638
1-[1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627567
1-(2-methylsulfonylethylsulfonyl)-N-propylpiperidin-4-amine
CID 55173688
N-(1-cyclopentylethyl)-2-(propylamino)ethanesulfonamide
CID 106066112

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylethyl]propan-1-amine?
The IUPAC name of N-[2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylethyl]propan-1-amine (CID 113419411) is N-[2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylethyl]propan-1-amine is CCCNCCS(=O)(=O)N1CCC(C(C)C)C1.
What is the InChIKey of N-[2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylethyl]propan-1-amine?
The InChIKey is QVVLZURCQCWWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-4-6-13-7-9-17(15,16)14-8-5-12(10-14)11(2)3/h11-13H,4-10H2,1-3H3.
What are the key properties of N-[2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylethyl]propan-1-amine?
N-[2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylethyl]propan-1-amine has a molecular weight of 262.42 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylethyl]propan-1-amine is sourced from PubChem (CID 113419411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).