N-[(4-morpholin-4-ylsulfonylphenyl)methyl]spiro[3.4]octan-3-amine

C19H28N2O3S — CID 139007045

IUPACN-[(4-morpholin-4-ylsulfonylphenyl)methyl]spiro[3.4]octan-3-amine
SMILESO=S(=O)(c1ccc(CNC2CCC23CCCC3)cc1)N1CCOCC1
InChIInChI=1S/C19H28N2O3S/c22-25(23,21-11-13-24-14-12-21)17-5-3-16(4-6-17)15-20-18-7-10-19(18)8-1-2-9-19/h3-6,18,20H,1-2,7-15H2
InChIKeyMCBFUCDZCFIYDG-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.52
Rot. Bonds5

About N-[(4-morpholin-4-ylsulfonylphenyl)methyl]spiro[3.4]octan-3-amine

N-[(4-morpholin-4-ylsulfonylphenyl)methyl]spiro[3.4]octan-3-amine (PubChem CID 139007045) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylsulfonylphenyl)methyl]spiro[3.4]octan-3-amine.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylsulfonylphenyl)methyl]spiro[3.4]octan-3-amine
PubChem CID139007045
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC NameN-[(4-morpholin-4-ylsulfonylphenyl)methyl]spiro[3.4]octan-3-amine
SMILESO=S(=O)(c1ccc(CNC2CCC23CCCC3)cc1)N1CCOCC1
InChIInChI=1S/C19H28N2O3S/c22-25(23,21-11-13-24-14-12-21)17-5-3-16(4-6-17)15-20-18-7-10-19(18)8-1-2-9-19/h3-6,18,20H,1-2,7-15H2
InChIKeyMCBFUCDZCFIYDG-UHFFFAOYSA-N
XLogP2.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanecarboxamide
CID 17436529
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
CID 30126407
4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 28563195
1-[[4-(methylsulfonylmethyl)phenyl]methyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 55909489
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 119271576
1-[(1R)-cyclohex-3-en-1-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]methanamine
CID 41236223
1-(benzenesulfonyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide
CID 43058785
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 55768855
(3R)-1-(4-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861830
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861829
(3S)-1-(4-bromophenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861826

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]spiro[3.4]octan-3-amine?
The IUPAC name of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]spiro[3.4]octan-3-amine (CID 139007045) is N-[(4-morpholin-4-ylsulfonylphenyl)methyl]spiro[3.4]octan-3-amine.
What is the SMILES notation for N-[(4-morpholin-4-ylsulfonylphenyl)methyl]spiro[3.4]octan-3-amine?
The canonical SMILES for N-[(4-morpholin-4-ylsulfonylphenyl)methyl]spiro[3.4]octan-3-amine is O=S(=O)(c1ccc(CNC2CCC23CCCC3)cc1)N1CCOCC1.
What is the InChIKey of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]spiro[3.4]octan-3-amine?
The InChIKey is MCBFUCDZCFIYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c22-25(23,21-11-13-24-14-12-21)17-5-3-16(4-6-17)15-20-18-7-10-19(18)8-1-2-9-19/h3-6,18,20H,1-2,7-15H2.
What are the key properties of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]spiro[3.4]octan-3-amine?
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]spiro[3.4]octan-3-amine has a molecular weight of 364.51 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylsulfonylphenyl)methyl]spiro[3.4]octan-3-amine is sourced from PubChem (CID 139007045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).