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

C16H30N2O2S — CID 106717780

IUPACN-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]butan-1-amine
SMILESCCCNC(CCC)c1ccn(CCS(=O)(=O)CCC)c1
InChIInChI=1S/C16H30N2O2S/c1-4-7-16(17-9-5-2)15-8-10-18(14-15)11-13-21(19,20)12-6-3/h8,10,14,16-17H,4-7,9,11-13H2,1-3H3
InChIKeyFFACDKVXRNVQNB-UHFFFAOYSA-N
MW314.50 g/mol
LogP3.15
Rot. Bonds11

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

N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]butan-1-amine (PubChem CID 106717780) has the molecular formula C16H30N2O2S and a molecular weight of 314.50 g/mol. Its IUPAC name is N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]butan-1-amine.

Molecular Properties

Compound NameN-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]butan-1-amine
PubChem CID106717780
Molecular FormulaC16H30N2O2S
Molecular Weight314.50 g/mol
Exact Mass314.20
IUPAC NameN-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]butan-1-amine
SMILESCCCNC(CCC)c1ccn(CCS(=O)(=O)CCC)c1
InChIInChI=1S/C16H30N2O2S/c1-4-7-16(17-9-5-2)15-8-10-18(14-15)11-13-21(19,20)12-6-3/h8,10,14,16-17H,4-7,9,11-13H2,1-3H3
InChIKeyFFACDKVXRNVQNB-UHFFFAOYSA-N
XLogP3.15
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]propan-1-amine
CID 106717790
1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine
CID 79109745
N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]butan-1-amine
CID 79108808
N-propyl-1-[1-(pyridin-4-ylmethyl)pyrrol-3-yl]butan-1-amine
CID 79108315
1-[1-(oxan-4-ylmethyl)pyrrol-3-yl]-N-propylbutan-1-amine
CID 79108633
1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104740
1-[1-[3-(dimethylamino)propyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 114526215
1-[1-[(2-bromophenyl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine
CID 79108247
N-[cyclopropyl-[1-(2-methylsulfonylethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 79103503
1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine
CID 79108751
1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-3-yl]-N-propylbutan-1-amine
CID 79561240
N-[cyclopropyl-[1-(2-propan-2-ylsulfonylethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 106717799

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]butan-1-amine?
The IUPAC name of N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]butan-1-amine (CID 106717780) is N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]butan-1-amine.
What is the SMILES notation for N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]butan-1-amine?
The canonical SMILES for N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]butan-1-amine is CCCNC(CCC)c1ccn(CCS(=O)(=O)CCC)c1.
What is the InChIKey of N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]butan-1-amine?
The InChIKey is FFACDKVXRNVQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2S/c1-4-7-16(17-9-5-2)15-8-10-18(14-15)11-13-21(19,20)12-6-3/h8,10,14,16-17H,4-7,9,11-13H2,1-3H3.
What are the key properties of N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]butan-1-amine?
N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]butan-1-amine has a molecular weight of 314.50 g/mol, XLogP of 3.15, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]butan-1-amine is sourced from PubChem (CID 106717780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).