N-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine

C18H25N3O3S — CID 131893435

IUPACN-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine
SMILESCN(CCN1CCOCC1)Cc1cccn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H25N3O3S/c1-19(10-11-20-12-14-24-15-13-20)16-17-6-5-9-21(17)25(22,23)18-7-3-2-4-8-18/h2-9H,10-16H2,1H3
InChIKeyWDEATCSMTLEUGE-UHFFFAOYSA-N
MW363.48 g/mol
LogP1.49
Rot. Bonds7

About N-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine

N-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine (PubChem CID 131893435) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine
PubChem CID131893435
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC NameN-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine
SMILESCN(CCN1CCOCC1)Cc1cccn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H25N3O3S/c1-19(10-11-20-12-14-24-15-13-20)16-17-6-5-9-21(17)25(22,23)18-7-3-2-4-8-18/h2-9H,10-16H2,1H3
InChIKeyWDEATCSMTLEUGE-UHFFFAOYSA-N
XLogP1.49
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine?
The IUPAC name of N-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine (CID 131893435) is N-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine is CN(CCN1CCOCC1)Cc1cccn1S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine?
The InChIKey is WDEATCSMTLEUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-19(10-11-20-12-14-24-15-13-20)16-17-6-5-9-21(17)25(22,23)18-7-3-2-4-8-18/h2-9H,10-16H2,1H3.
What are the key properties of N-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine?
N-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine has a molecular weight of 363.48 g/mol, XLogP of 1.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine is sourced from PubChem (CID 131893435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).