1-(4-morpholin-4-ylsulfonylphenyl)-N-(naphthalen-2-ylmethyl)methanamine

C22H24N2O3S — CID 27656690

IUPAC1-(4-morpholin-4-ylsulfonylphenyl)-N-(naphthalen-2-ylmethyl)methanamine
SMILESO=S(=O)(c1ccc(CNCc2ccc3ccccc3c2)cc1)N1CCOCC1
InChIInChI=1S/C22H24N2O3S/c25-28(26,24-11-13-27-14-12-24)22-9-6-18(7-10-22)16-23-17-19-5-8-20-3-1-2-4-21(20)15-19/h1-10,15,23H,11-14,16-17H2
InChIKeyGVHFMUMOWLMRSC-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.15
Rot. Bonds6

About 1-(4-morpholin-4-ylsulfonylphenyl)-N-(naphthalen-2-ylmethyl)methanamine

1-(4-morpholin-4-ylsulfonylphenyl)-N-(naphthalen-2-ylmethyl)methanamine (PubChem CID 27656690) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylsulfonylphenyl)-N-(naphthalen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-morpholin-4-ylsulfonylphenyl)-N-(naphthalen-2-ylmethyl)methanamine
PubChem CID27656690
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name1-(4-morpholin-4-ylsulfonylphenyl)-N-(naphthalen-2-ylmethyl)methanamine
SMILESO=S(=O)(c1ccc(CNCc2ccc3ccccc3c2)cc1)N1CCOCC1
InChIInChI=1S/C22H24N2O3S/c25-28(26,24-11-13-27-14-12-24)22-9-6-18(7-10-22)16-23-17-19-5-8-20-3-1-2-4-21(20)15-19/h1-10,15,23H,11-14,16-17H2
InChIKeyGVHFMUMOWLMRSC-UHFFFAOYSA-N
XLogP3.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine
CID 60597463
N-[(2-chlorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine
CID 27656588
3-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)benzamide
CID 94042950
2-ethoxy-5-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)aniline
CID 112811153
4-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzenesulfonamide
CID 3508166
N-(naphthalen-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 94042960
4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 28563195
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-ylacetamide
CID 26065527
1-[(1R)-cyclohex-3-en-1-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]methanamine
CID 41236223
4-[4-(naphthalen-1-ylmethoxy)phenyl]sulfonylmorpholine
CID 7612861
3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271571
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanecarboxamide
CID 17436529

Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylsulfonylphenyl)-N-(naphthalen-2-ylmethyl)methanamine?
The IUPAC name of 1-(4-morpholin-4-ylsulfonylphenyl)-N-(naphthalen-2-ylmethyl)methanamine (CID 27656690) is 1-(4-morpholin-4-ylsulfonylphenyl)-N-(naphthalen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-morpholin-4-ylsulfonylphenyl)-N-(naphthalen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(4-morpholin-4-ylsulfonylphenyl)-N-(naphthalen-2-ylmethyl)methanamine is O=S(=O)(c1ccc(CNCc2ccc3ccccc3c2)cc1)N1CCOCC1.
What is the InChIKey of 1-(4-morpholin-4-ylsulfonylphenyl)-N-(naphthalen-2-ylmethyl)methanamine?
The InChIKey is GVHFMUMOWLMRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c25-28(26,24-11-13-27-14-12-24)22-9-6-18(7-10-22)16-23-17-19-5-8-20-3-1-2-4-21(20)15-19/h1-10,15,23H,11-14,16-17H2.
What are the key properties of 1-(4-morpholin-4-ylsulfonylphenyl)-N-(naphthalen-2-ylmethyl)methanamine?
1-(4-morpholin-4-ylsulfonylphenyl)-N-(naphthalen-2-ylmethyl)methanamine has a molecular weight of 396.51 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylsulfonylphenyl)-N-(naphthalen-2-ylmethyl)methanamine is sourced from PubChem (CID 27656690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).