N-[(5-methylthiophen-2-yl)methyl]-1-[2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine

C18H24N2O3S2 — CID 119111404

IUPACN-[(5-methylthiophen-2-yl)methyl]-1-[2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine
SMILESCc1ccc(CNCc2ccccc2CS(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C18H24N2O3S2/c1-15-6-7-18(24-15)13-19-12-16-4-2-3-5-17(16)14-25(21,22)20-8-10-23-11-9-20/h2-7,19H,8-14H2,1H3
InChIKeyLFQLQTAIUKDPQU-UHFFFAOYSA-N
MW380.54 g/mol
LogP2.51
Rot. Bonds7

About N-[(5-methylthiophen-2-yl)methyl]-1-[2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine

N-[(5-methylthiophen-2-yl)methyl]-1-[2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine (PubChem CID 119111404) has the molecular formula C18H24N2O3S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-1-[2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-1-[2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine
PubChem CID119111404
Molecular FormulaC18H24N2O3S2
Molecular Weight380.54 g/mol
Exact Mass380.12
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-1-[2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine
SMILESCc1ccc(CNCc2ccccc2CS(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C18H24N2O3S2/c1-15-6-7-18(24-15)13-19-12-16-4-2-3-5-17(16)14-25(21,22)20-8-10-23-11-9-20/h2-7,19H,8-14H2,1H3
InChIKeyLFQLQTAIUKDPQU-UHFFFAOYSA-N
XLogP2.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111898796
1-(2,4-dimethylphenyl)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]methanamine
CID 119111405
2-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 24541772
(2R)-2-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide
CID 119275554
2-(methylamino)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]acetamide;hydrochloride
CID 119697573
1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119697559
2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide
CID 119697580
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 17409313
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]furan-2-carboxamide
CID 17408204
2,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 24535412
N-(5-methyl-1,2-oxazol-3-yl)-2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methylamino]butanamide
CID 167906524
4-fluoro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 27702570

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-[2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-[2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine (CID 119111404) is N-[(5-methylthiophen-2-yl)methyl]-1-[2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-1-[2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-1-[2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine is Cc1ccc(CNCc2ccccc2CS(=O)(=O)N2CCOCC2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-1-[2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine?
The InChIKey is LFQLQTAIUKDPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S2/c1-15-6-7-18(24-15)13-19-12-16-4-2-3-5-17(16)14-25(21,22)20-8-10-23-11-9-20/h2-7,19H,8-14H2,1H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-1-[2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine?
N-[(5-methylthiophen-2-yl)methyl]-1-[2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine has a molecular weight of 380.54 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-1-[2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine is sourced from PubChem (CID 119111404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).