2-methyl-N-[[1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methyl]propan-1-amine

C14H30N2O2S — CID 106725781

IUPAC2-methyl-N-[[1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCCCS(=O)(=O)CCN1CCCC1CNCC(C)C
InChIInChI=1S/C14H30N2O2S/c1-4-9-19(17,18)10-8-16-7-5-6-14(16)12-15-11-13(2)3/h13-15H,4-12H2,1-3H3
InChIKeyVGRIJSFVANTFIV-UHFFFAOYSA-N
MW290.47 g/mol
LogP1.52
Rot. Bonds9

About 2-methyl-N-[[1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methyl]propan-1-amine

2-methyl-N-[[1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methyl]propan-1-amine (PubChem CID 106725781) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methyl]propan-1-amine
PubChem CID106725781
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC Name2-methyl-N-[[1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCCCS(=O)(=O)CCN1CCCC1CNCC(C)C
InChIInChI=1S/C14H30N2O2S/c1-4-9-19(17,18)10-8-16-7-5-6-14(16)12-15-11-13(2)3/h13-15H,4-12H2,1-3H3
InChIKeyVGRIJSFVANTFIV-UHFFFAOYSA-N
XLogP1.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methyl]propan-1-amine with MolForge

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Related Compounds

3-({2-[Bis(propan-2-yl)amino]ethyl}amino)-1lambda6-thiolane-1,1-dione dihydrochloride
CID 16247645
N'-(1,1-Dioxidotetrahydrothien-3-Yl)-N,N-Diethylethane-1,2-Diamine
CID 16226707
3-(Isobutylamino)tetrahydrothiophene 1,1-dioxide
CID 3113026
3-((2-(Dimethylamino)ethyl)amino)-1lambda6-thiolane-1,1-dione dihydrochloride
CID 16247849
N'-(1,1-Dioxidotetrahydrothien-3-Yl)-N,N-Diisopropylethane-1,2-Diamine Hydrochloride
CID 43810439
3-Amino-4-(pyrrolidin-1-yl)-1lambda6-thiolane-1,1-dione
CID 47003157
3-{[2-(Diethylamino)ethyl]amino}-1lambda6-thiolane-1,1-dione dihydrochloride
CID 132327488
N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 3131596
N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-2-methylsulfonylcyclohexan-1-amine
CID 84598972
3-((2-(Diisopropylamino)ethyl)amino)tetrahydrothiophene 1,1-dioxide
CID 4962282
N-hexyl-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine
CID 56806848
(3R)-N-(2-methylpropyl)-1,1-dioxothiolan-3-amine
CID 7047408

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methyl]propan-1-amine (CID 106725781) is 2-methyl-N-[[1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methyl]propan-1-amine is CCCS(=O)(=O)CCN1CCCC1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methyl]propan-1-amine?
The InChIKey is VGRIJSFVANTFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-4-9-19(17,18)10-8-16-7-5-6-14(16)12-15-11-13(2)3/h13-15H,4-12H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methyl]propan-1-amine has a molecular weight of 290.47 g/mol, XLogP of 1.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 106725781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).