1-cyclopropyl-N-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-amine

C12H24N2O2S — CID 103780983

IUPAC1-cyclopropyl-N-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-amine
SMILESCCS(=O)(=O)CCNC1CC(C)N(C2CC2)C1
InChIInChI=1S/C12H24N2O2S/c1-3-17(15,16)7-6-13-11-8-10(2)14(9-11)12-4-5-12/h10-13H,3-9H2,1-2H3
InChIKeyJSCVXDNXDMOSIH-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.64
Rot. Bonds6

About 1-cyclopropyl-N-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-amine

1-cyclopropyl-N-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-amine (PubChem CID 103780983) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-amine
PubChem CID103780983
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name1-cyclopropyl-N-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-amine
SMILESCCS(=O)(=O)CCNC1CC(C)N(C2CC2)C1
InChIInChI=1S/C12H24N2O2S/c1-3-17(15,16)7-6-13-11-8-10(2)14(9-11)12-4-5-12/h10-13H,3-9H2,1-2H3
InChIKeyJSCVXDNXDMOSIH-UHFFFAOYSA-N
XLogP0.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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rel-(3R,4S)-4-cyclopropyl-1-[2-(methylsulfonyl)ethyl]-3-pyrrolidinamine dihydrochloride
CID 72926413
N-(2-ethylpyrrolidin-3-yl)cyclopropanesulfonamide
CID 171359320
3-((2-(Diisopropylamino)ethyl)amino)tetrahydrothiophene 1,1-dioxide
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N-hexyl-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine
CID 56806848
3-Methylsulfonyl-1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 20581073
N-[(3S,5R)-5-ethylpyrrolidin-3-yl]cyclopropanesulfonamide
CID 58557869
4-(Pyrrolidin-3-yl)thiomorpholine 1,1-dioxide
CID 58735564
N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine
CID 58735690
3-methylsulfonyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine
CID 59056245
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CID 59056775

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-amine (CID 103780983) is 1-cyclopropyl-N-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-amine is CCS(=O)(=O)CCNC1CC(C)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-amine?
The InChIKey is JSCVXDNXDMOSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-3-17(15,16)7-6-13-11-8-10(2)14(9-11)12-4-5-12/h10-13H,3-9H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-amine?
1-cyclopropyl-N-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-amine has a molecular weight of 260.40 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-amine is sourced from PubChem (CID 103780983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).