5-morpholin-4-ylsulfonyl-N-[(1-phenylcyclobutyl)methyl]pyridin-2-amine

C20H25N3O3S — CID 47018135

IUPAC5-morpholin-4-ylsulfonyl-N-[(1-phenylcyclobutyl)methyl]pyridin-2-amine
SMILESO=S(=O)(c1ccc(NCC2(c3ccccc3)CCC2)nc1)N1CCOCC1
InChIInChI=1S/C20H25N3O3S/c24-27(25,23-11-13-26-14-12-23)18-7-8-19(21-15-18)22-16-20(9-4-10-20)17-5-2-1-3-6-17/h1-3,5-8,15H,4,9-14,16H2,(H,21,22)
InChIKeyYMYXBFQBVQWMGS-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.64
Rot. Bonds6

About 5-morpholin-4-ylsulfonyl-N-[(1-phenylcyclobutyl)methyl]pyridin-2-amine

5-morpholin-4-ylsulfonyl-N-[(1-phenylcyclobutyl)methyl]pyridin-2-amine (PubChem CID 47018135) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 5-morpholin-4-ylsulfonyl-N-[(1-phenylcyclobutyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-morpholin-4-ylsulfonyl-N-[(1-phenylcyclobutyl)methyl]pyridin-2-amine
PubChem CID47018135
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name5-morpholin-4-ylsulfonyl-N-[(1-phenylcyclobutyl)methyl]pyridin-2-amine
SMILESO=S(=O)(c1ccc(NCC2(c3ccccc3)CCC2)nc1)N1CCOCC1
InChIInChI=1S/C20H25N3O3S/c24-27(25,23-11-13-26-14-12-23)18-7-8-19(21-15-18)22-16-20(9-4-10-20)17-5-2-1-3-6-17/h1-3,5-8,15H,4,9-14,16H2,(H,21,22)
InChIKeyYMYXBFQBVQWMGS-UHFFFAOYSA-N
XLogP2.64
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methylpiperazin-1-yl)sulfonyl-N-[(1-phenylcyclopentyl)methyl]pyridin-2-amine
CID 55465237
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 60570236
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 60570237
N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268046
4-morpholin-4-ylsulfonyl-2-nitro-N-[(1-phenylcyclopropyl)methyl]aniline
CID 46683945
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133466589
5-morpholin-4-ylsulfonyl-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 9211241
N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156
1-(2-methoxyphenyl)-N,N-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine
CID 55346754
N-[(3-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281619
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133306070
N-[(1-methylpiperidin-3-yl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133430518

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-ylsulfonyl-N-[(1-phenylcyclobutyl)methyl]pyridin-2-amine?
The IUPAC name of 5-morpholin-4-ylsulfonyl-N-[(1-phenylcyclobutyl)methyl]pyridin-2-amine (CID 47018135) is 5-morpholin-4-ylsulfonyl-N-[(1-phenylcyclobutyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-morpholin-4-ylsulfonyl-N-[(1-phenylcyclobutyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-morpholin-4-ylsulfonyl-N-[(1-phenylcyclobutyl)methyl]pyridin-2-amine is O=S(=O)(c1ccc(NCC2(c3ccccc3)CCC2)nc1)N1CCOCC1.
What is the InChIKey of 5-morpholin-4-ylsulfonyl-N-[(1-phenylcyclobutyl)methyl]pyridin-2-amine?
The InChIKey is YMYXBFQBVQWMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c24-27(25,23-11-13-26-14-12-23)18-7-8-19(21-15-18)22-16-20(9-4-10-20)17-5-2-1-3-6-17/h1-3,5-8,15H,4,9-14,16H2,(H,21,22).
What are the key properties of 5-morpholin-4-ylsulfonyl-N-[(1-phenylcyclobutyl)methyl]pyridin-2-amine?
5-morpholin-4-ylsulfonyl-N-[(1-phenylcyclobutyl)methyl]pyridin-2-amine has a molecular weight of 387.51 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-ylsulfonyl-N-[(1-phenylcyclobutyl)methyl]pyridin-2-amine is sourced from PubChem (CID 47018135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).