2-methyl-N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]propan-1-amine

C16H30N2O2S — CID 106717790

IUPAC2-methyl-N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]propan-1-amine
SMILESCCCNC(c1ccn(CCS(=O)(=O)CCC)c1)C(C)C
InChIInChI=1S/C16H30N2O2S/c1-5-8-17-16(14(3)4)15-7-9-18(13-15)10-12-21(19,20)11-6-2/h7,9,13-14,16-17H,5-6,8,10-12H2,1-4H3
InChIKeyABHNQLBAPADJED-UHFFFAOYSA-N
MW314.50 g/mol
LogP3.01
Rot. Bonds10

About 2-methyl-N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]propan-1-amine

2-methyl-N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]propan-1-amine (PubChem CID 106717790) has the molecular formula C16H30N2O2S and a molecular weight of 314.50 g/mol. Its IUPAC name is 2-methyl-N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]propan-1-amine
PubChem CID106717790
Molecular FormulaC16H30N2O2S
Molecular Weight314.50 g/mol
Exact Mass314.20
IUPAC Name2-methyl-N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]propan-1-amine
SMILESCCCNC(c1ccn(CCS(=O)(=O)CCC)c1)C(C)C
InChIInChI=1S/C16H30N2O2S/c1-5-8-17-16(14(3)4)15-7-9-18(13-15)10-12-21(19,20)11-6-2/h7,9,13-14,16-17H,5-6,8,10-12H2,1-4H3
InChIKeyABHNQLBAPADJED-UHFFFAOYSA-N
XLogP3.01
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]butan-1-amine
CID 106717780
1-(1-hexylpyrrol-3-yl)-2-methyl-N-propylpropan-1-amine
CID 79097646
1-[1-(ethoxymethyl)pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine
CID 79097651
1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine
CID 103411325
N-ethyl-N-methyl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79097566
N-butan-2-yl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79108845
N-[cyclopropyl-[1-(2-propan-2-ylsulfonylethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 106717799
2-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79097821
N-[cyclopropyl-[1-(2-methylsulfonylethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 79103503
1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine
CID 79109146
N-ethyl-1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-amine
CID 79098074
N-ethyl-2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine
CID 79097392

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]propan-1-amine?
The IUPAC name of 2-methyl-N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]propan-1-amine (CID 106717790) is 2-methyl-N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]propan-1-amine?
The canonical SMILES for 2-methyl-N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]propan-1-amine is CCCNC(c1ccn(CCS(=O)(=O)CCC)c1)C(C)C.
What is the InChIKey of 2-methyl-N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]propan-1-amine?
The InChIKey is ABHNQLBAPADJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2S/c1-5-8-17-16(14(3)4)15-7-9-18(13-15)10-12-21(19,20)11-6-2/h7,9,13-14,16-17H,5-6,8,10-12H2,1-4H3.
What are the key properties of 2-methyl-N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]propan-1-amine?
2-methyl-N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]propan-1-amine has a molecular weight of 314.50 g/mol, XLogP of 3.01, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 106717790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).